 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_300_STD_wB97XD-def2SVPDr.in
 Output=23_tartaric_acid_300_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/23_tartaric_acid_300_STD/Gau-18326.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/23_tartaric_acid_300_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     18327.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=23_tartaric_acid_300_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 18:10:20 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "23_tartaric_acid_300_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.464416000000     -0.510638000000     -0.301760000000
  O                                                -1.226068000000     -1.649988000000     -0.632869000000
  O                                                -2.372478000000      0.237815000000     -0.908297000000
  C                                                -0.752797000000      0.166934000000      0.877420000000
  C                                                 0.752808000000     -0.166909000000      0.877405000000
  C                                                 1.464382000000      0.510618000000     -0.301784000000
  O                                                 1.226101000000      1.650002000000     -0.632837000000
  O                                                -1.004751000000      1.555168000000      0.901145000000
  O                                                 1.004808000000     -1.555150000000      0.901196000000
  O                                                 2.372410000000     -0.237840000000     -0.908359000000
  H                                                -1.183171000000     -0.268641000000      1.783396000000
  H                                                 1.183171000000      0.268677000000      1.783379000000
  H                                                 2.347339000000     -1.116286000000     -0.478105000000
  H                                                -2.347390000000      1.116250000000     -0.478019000000
  H                                                -0.303553000000      1.976048000000      0.360817000000
  H                                                 0.303578000000     -1.976155000000      0.361020000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Jul 23 18:10:21 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.464416   -0.510638   -0.301760
      2          8           0       -1.226068   -1.649988   -0.632869
      3          8           0       -2.372478    0.237815   -0.908297
      4          6           0       -0.752797    0.166934    0.877420
      5          6           0        0.752808   -0.166909    0.877405
      6          6           0        1.464382    0.510618   -0.301784
      7          8           0        1.226101    1.650002   -0.632837
      8          8           0       -1.004751    1.555168    0.901145
      9          8           0        1.004808   -1.555150    0.901196
     10          8           0        2.372410   -0.237840   -0.908359
     11          1           0       -1.183171   -0.268641    1.783396
     12          1           0        1.183171    0.268677    1.783379
     13          1           0        2.347339   -1.116286   -0.478105
     14          1           0       -2.347390    1.116250   -0.478019
     15          1           0       -0.303553    1.976048    0.360817
     16          1           0        0.303578   -1.976155    0.361020
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.210191   0.000000
     3  O    1.323875   2.225740   0.000000
     4  C    1.534917   2.409598   2.411882   0.000000
     5  C    2.534692   2.897654   3.622147   1.542173   0.000000
     6  C    3.101745   3.466462   3.894069   2.534664   1.534883
     7  O    3.466534   4.111334   3.875554   2.897655   2.409565
     8  O    2.434302   3.560225   2.623009   1.411112   2.460717
     9  O    2.938567   2.709088   4.230254   2.460755   1.411128
    10  O    3.894049   3.875448   4.768670   3.622122   2.411865
    11  H    2.117909   2.783576   2.985994   1.093499   2.139903
    12  H    3.459025   3.914583   4.459676   2.139880   1.093497
    13  H    3.863597   3.616356   4.929029   3.618694   2.298098
    14  H    1.859429   2.988882   0.978477   2.298074   3.618687
    15  H    2.823158   3.871251   2.985390   1.934320   2.444387
    16  H    2.390151   1.853110   3.697851   2.444469   1.934382
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.210194   0.000000
     8  O    2.938493   2.709021   0.000000
     9  O    2.434290   3.560229   3.703027   0.000000
    10  O    1.323872   2.225732   4.230177   2.623000   0.000000
    11  H    3.459011   3.914584   2.033834   2.687124   4.459669
    12  H    2.117905   2.783523   2.687080   2.033815   2.986018
    13  H    1.859440   2.988890   4.502833   1.974199   0.978476
    14  H    3.863606   3.616448   1.974189   4.502871   4.929023
    15  H    2.390004   1.852969   0.980190   3.804363   3.697687
    16  H    2.823263   3.871410   3.804432   0.980183   2.985486
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.426579   0.000000
    13  H    4.277545   2.896156   0.000000
    14  H    2.896088   4.277518   5.198528   0.000000
    15  H    2.799301   2.673789   4.158551   2.370689   0.000000
    16  H    2.673795   2.799296   2.370752   4.158676   3.998564
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.464416   -0.510638   -0.301760
      2          8           0       -1.226068   -1.649988   -0.632869
      3          8           0       -2.372478    0.237815   -0.908297
      4          6           0       -0.752797    0.166934    0.877420
      5          6           0        0.752808   -0.166909    0.877405
      6          6           0        1.464382    0.510618   -0.301784
      7          8           0        1.226101    1.650002   -0.632837
      8          8           0       -1.004751    1.555168    0.901145
      9          8           0        1.004808   -1.555150    0.901196
     10          8           0        2.372410   -0.237840   -0.908359
     11          1           0       -1.183171   -0.268641    1.783396
     12          1           0        1.183171    0.268677    1.783379
     13          1           0        2.347339   -1.116286   -0.478105
     14          1           0       -2.347390    1.116250   -0.478019
     15          1           0       -0.303553    1.976048    0.360817
     16          1           0        0.303578   -1.976155    0.361020
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.8283046           1.1678491           0.9656679
 Leave Link  202 at Fri Jul 23 18:10:21 2021, MaxMem= 10737418240 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   266 symmetry adapted basis functions of A   symmetry.
   266 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       591.3890664853 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0084895240 Hartrees.
 Nuclear repulsion after empirical dispersion term =      591.3805769614 Hartrees.
 Leave Link  301 at Fri Jul 23 18:10:22 2021, MaxMem= 10737418240 cpu:              13.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   266 RedAO= T EigKep=  2.89D-05  NBF=   266
 NBsUse=   266 1.00D-06 EigRej= -1.00D+00 NBFU=   266
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   285   285   285   285   285 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Fri Jul 23 18:10:23 2021, MaxMem= 10737418240 cpu:               5.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 18:10:24 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_300_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 18:10:24 2021, MaxMem= 10737418240 cpu:               5.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737247312 LenY= 10737165075
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -606.810841904272    
 DIIS: error= 4.41D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -606.810841904272     IErMin= 1 ErrMin= 4.41D-03
 ErrMax= 4.41D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.04D-02 BMatP= 2.04D-02
 IDIUse=3 WtCom= 9.56D-01 WtEn= 4.41D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.415 Goal=   None    Shift=    0.000
 GapD=    0.415 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.04D-03 MaxDP=7.78D-02              OVMax= 1.38D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.04D-03    CP:  1.00D+00
 E= -606.826283279057     Delta-E=       -0.015441374785 Rises=F Damp=F
 DIIS: error= 1.10D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -606.826283279057     IErMin= 2 ErrMin= 1.10D-03
 ErrMax= 1.10D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.43D-04 BMatP= 2.04D-02
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.10D-02
 Coeff-Com:  0.276D-01 0.972D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.273D-01 0.973D+00
 Gap=     0.415 Goal=   None    Shift=    0.000
 RMSDP=7.06D-04 MaxDP=2.21D-02 DE=-1.54D-02 OVMax= 6.90D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.55D-04    CP:  9.92D-01  1.10D+00
 E= -606.826835592906     Delta-E=       -0.000552313848 Rises=F Damp=F
 DIIS: error= 8.89D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -606.826835592906     IErMin= 3 ErrMin= 8.89D-04
 ErrMax= 8.89D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.58D-04 BMatP= 9.43D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.89D-03
 Coeff-Com: -0.479D-01 0.474D+00 0.574D+00
 Coeff-En:   0.000D+00 0.205D+00 0.795D+00
 Coeff:     -0.474D-01 0.471D+00 0.576D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=1.54D-04 MaxDP=3.57D-03 DE=-5.52D-04 OVMax= 2.64D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.03D-04    CP:  9.93D-01  1.13D+00  9.66D-01
 E= -606.827320168987     Delta-E=       -0.000484576081 Rises=F Damp=F
 DIIS: error= 1.69D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -606.827320168987     IErMin= 4 ErrMin= 1.69D-04
 ErrMax= 1.69D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.08D-05 BMatP= 7.58D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.69D-03
 Coeff-Com: -0.195D-01 0.123D+00 0.199D+00 0.698D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.195D-01 0.123D+00 0.199D+00 0.698D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=7.73D-05 MaxDP=3.88D-03 DE=-4.85D-04 OVMax= 8.44D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.59D-05    CP:  9.91D-01  1.13D+00  1.06D+00  1.05D+00
 E= -606.827338375456     Delta-E=       -0.000018206469 Rises=F Damp=F
 DIIS: error= 6.41D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -606.827338375456     IErMin= 5 ErrMin= 6.41D-05
 ErrMax= 6.41D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-06 BMatP= 2.08D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.166D-02-0.325D-01-0.410D-01 0.193D+00 0.879D+00
 Coeff:      0.166D-02-0.325D-01-0.410D-01 0.193D+00 0.879D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=2.73D-05 MaxDP=1.07D-03 DE=-1.82D-05 OVMax= 2.88D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.29D-05    CP:  9.91D-01  1.13D+00  1.09D+00  1.11D+00  9.87D-01
 E= -606.827340655346     Delta-E=       -0.000002279890 Rises=F Damp=F
 DIIS: error= 1.09D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -606.827340655346     IErMin= 6 ErrMin= 1.09D-05
 ErrMax= 1.09D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.45D-08 BMatP= 2.15D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D-02-0.132D-01-0.174D-01 0.426D-01 0.269D+00 0.718D+00
 Coeff:      0.100D-02-0.132D-01-0.174D-01 0.426D-01 0.269D+00 0.718D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=4.36D-06 MaxDP=1.96D-04 DE=-2.28D-06 OVMax= 7.11D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.38D-06    CP:  9.90D-01  1.13D+00  1.10D+00  1.12D+00  1.01D+00
                    CP:  1.06D+00
 E= -606.827340723439     Delta-E=       -0.000000068094 Rises=F Damp=F
 DIIS: error= 5.20D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -606.827340723439     IErMin= 7 ErrMin= 5.20D-06
 ErrMax= 5.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.63D-08 BMatP= 8.45D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.235D-03-0.154D-02-0.204D-02-0.966D-02-0.568D-02 0.349D+00
 Coeff-Com:  0.670D+00
 Coeff:      0.235D-03-0.154D-02-0.204D-02-0.966D-02-0.568D-02 0.349D+00
 Coeff:      0.670D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=1.73D-06 MaxDP=7.66D-05 DE=-6.81D-08 OVMax= 5.85D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.03D-06    CP:  9.90D-01  1.13D+00  1.10D+00  1.12D+00  1.02D+00
                    CP:  1.12D+00  1.05D+00
 E= -606.827340747692     Delta-E=       -0.000000024252 Rises=F Damp=F
 DIIS: error= 1.75D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -606.827340747692     IErMin= 8 ErrMin= 1.75D-06
 ErrMax= 1.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.83D-09 BMatP= 2.63D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.515D-04 0.133D-02 0.191D-02-0.100D-01-0.406D-01 0.946D-02
 Coeff-Com:  0.262D+00 0.776D+00
 Coeff:     -0.515D-04 0.133D-02 0.191D-02-0.100D-01-0.406D-01 0.946D-02
 Coeff:      0.262D+00 0.776D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=5.90D-07 MaxDP=2.36D-05 DE=-2.43D-08 OVMax= 1.34D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.65D-07    CP:  9.90D-01  1.13D+00  1.10D+00  1.12D+00  1.02D+00
                    CP:  1.15D+00  1.10D+00  1.04D+00
 E= -606.827340750520     Delta-E=       -0.000000002828 Rises=F Damp=F
 DIIS: error= 5.52D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -606.827340750520     IErMin= 9 ErrMin= 5.52D-07
 ErrMax= 5.52D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-10 BMatP= 2.83D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.429D-04 0.675D-03 0.964D-03-0.335D-02-0.156D-01-0.271D-01
 Coeff-Com:  0.566D-01 0.292D+00 0.696D+00
 Coeff:     -0.429D-04 0.675D-03 0.964D-03-0.335D-02-0.156D-01-0.271D-01
 Coeff:      0.566D-01 0.292D+00 0.696D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=1.65D-07 MaxDP=6.54D-06 DE=-2.83D-09 OVMax= 6.39D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.13D-07    CP:  9.90D-01  1.13D+00  1.10D+00  1.12D+00  1.02D+00
                    CP:  1.15D+00  1.11D+00  1.10D+00  1.10D+00
 E= -606.827340750768     Delta-E=       -0.000000000249 Rises=F Damp=F
 DIIS: error= 1.96D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -606.827340750768     IErMin=10 ErrMin= 1.96D-07
 ErrMax= 1.96D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.37D-11 BMatP= 2.33D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.116D-04 0.106D-03 0.140D-03-0.818D-04-0.907D-03-0.136D-01
 Coeff-Com: -0.113D-01-0.688D-03 0.301D+00 0.726D+00
 Coeff:     -0.116D-04 0.106D-03 0.140D-03-0.818D-04-0.907D-03-0.136D-01
 Coeff:     -0.113D-01-0.688D-03 0.301D+00 0.726D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=8.41D-08 MaxDP=4.45D-06 DE=-2.49D-10 OVMax= 1.75D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.94D-08    CP:  9.90D-01  1.13D+00  1.10D+00  1.12D+00  1.02D+00
                    CP:  1.15D+00  1.12D+00  1.14D+00  1.20D+00  1.05D+00
 E= -606.827340750826     Delta-E=       -0.000000000057 Rises=F Damp=F
 DIIS: error= 5.40D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -606.827340750826     IErMin=11 ErrMin= 5.40D-08
 ErrMax= 5.40D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.78D-12 BMatP= 4.37D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.245D-05-0.536D-04-0.842D-04 0.374D-03 0.165D-02 0.398D-03
 Coeff-Com: -0.676D-02-0.357D-01-0.139D-01 0.113D+00 0.941D+00
 Coeff:      0.245D-05-0.536D-04-0.842D-04 0.374D-03 0.165D-02 0.398D-03
 Coeff:     -0.676D-02-0.357D-01-0.139D-01 0.113D+00 0.941D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=3.40D-08 MaxDP=1.42D-06 DE=-5.73D-11 OVMax= 8.68D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.54D-08    CP:  9.90D-01  1.13D+00  1.10D+00  1.12D+00  1.02D+00
                    CP:  1.15D+00  1.12D+00  1.15D+00  1.24D+00  1.13D+00
                    CP:  1.21D+00
 E= -606.827340750833     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 2.04D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -606.827340750833     IErMin=12 ErrMin= 2.04D-08
 ErrMax= 2.04D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.56D-13 BMatP= 1.78D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.165D-05-0.241D-04-0.360D-04 0.111D-03 0.534D-03 0.111D-02
 Coeff-Com: -0.674D-03-0.103D-01-0.276D-01-0.344D-01 0.265D+00 0.806D+00
 Coeff:      0.165D-05-0.241D-04-0.360D-04 0.111D-03 0.534D-03 0.111D-02
 Coeff:     -0.674D-03-0.103D-01-0.276D-01-0.344D-01 0.265D+00 0.806D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=7.28D-09 MaxDP=2.01D-07 DE=-7.73D-12 OVMax= 2.90D-07

 SCF Done:  E(RwB97XD) =  -606.827340751     A.U. after   12 cycles
            NFock= 12  Conv=0.73D-08     -V/T= 2.0089
 KE= 6.014817226017D+02 PE=-2.605885166594D+03 EE= 8.061955262799D+02
 Leave Link  502 at Fri Jul 23 18:11:21 2021, MaxMem= 10737418240 cpu:             895.7 elap:              56.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   266
 NBasis=   266 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    266 NOA=    39 NOB=    39 NVA=   227 NVB=   227

 **** Warning!!: The largest alpha MO coefficient is  0.34267098D+02

 Leave Link  801 at Fri Jul 23 18:11:21 2021, MaxMem= 10737418240 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4853 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.48D-13 8.33D-09 XBig12= 1.00D+00 2.96D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.48D-13 8.33D-09 XBig12= 2.27D-01 7.68D-02.
     11 vectors produced by pass  2 Test12= 1.48D-13 8.33D-09 XBig12= 4.11D-02 5.64D-02.
     11 vectors produced by pass  3 Test12= 1.48D-13 8.33D-09 XBig12= 4.12D-03 1.80D-02.
     11 vectors produced by pass  4 Test12= 1.48D-13 8.33D-09 XBig12= 5.34D-04 5.18D-03.
     11 vectors produced by pass  5 Test12= 1.48D-13 8.33D-09 XBig12= 3.29D-05 1.11D-03.
     11 vectors produced by pass  6 Test12= 1.48D-13 8.33D-09 XBig12= 6.84D-07 1.60D-04.
     11 vectors produced by pass  7 Test12= 1.48D-13 8.33D-09 XBig12= 1.92D-08 2.76D-05.
     11 vectors produced by pass  8 Test12= 1.48D-13 8.33D-09 XBig12= 6.32D-10 4.16D-06.
     11 vectors produced by pass  9 Test12= 1.48D-13 8.33D-09 XBig12= 1.58D-11 4.99D-07.
      9 vectors produced by pass 10 Test12= 1.48D-13 8.33D-09 XBig12= 2.65D-13 9.59D-08.
      1 vectors produced by pass 11 Test12= 1.48D-13 8.33D-09 XBig12= 4.86D-15 1.52D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.723237D+02
      2 -0.579592D+01  0.767504D+02
      3 -0.250165D-03  0.214781D-03  0.617551D+02
 Isotropic polarizability for W=    0.088559       70.28 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.408612D-02  0.185893D-02 -0.389177D+02
      2   0.236564D-02 -0.637198D-03 -0.185061D+01
      3   0.172048D-02 -0.122173D-02  0.407683D+02
      4   0.182279D-03  0.132142D-02 -0.130318D+02
      5  -0.175880D+02 -0.344832D+01  0.466202D-03
      6  -0.517137D+00  0.954487D+00 -0.168018D-02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.806291D+01  0.508101D+01  0.830265D-04
      2  -0.250769D+02 -0.939546D+01 -0.665936D-03
      3   0.218376D-03  0.116234D-05  0.162219D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.958351D+01  0.280509D+01  0.458456D-03
      2  -0.213296D+02 -0.125147D+02 -0.125428D-02
      3  -0.167665D-02  0.104422D-02  0.293118D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.149076D+01  0.268340D+01 -0.227624D-03
      2   0.268340D+01  0.171388D+01  0.139937D-03
      3  -0.227624D-03  0.139937D-03  0.665215D-01
 OR G Eigenvalues:    -3.0138     0.0665     3.2370  Iso=    -0.0965
 Eigenvectors:
   (1)   0.869677  -0.493620   0.000087
   (2)  -0.000077   0.000040   1.000000
   (3)   0.493620   0.869677   0.000003
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0965 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -32.62 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   35511 ScalPx= 1.58D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   35511 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.35D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.46D-14 2.78D-09 XBig12= 1.00D+00 3.28D-01.
     30 vectors produced by pass  1 Test12= 2.46D-14 2.78D-09 XBig12= 7.18D-02 5.85D-02.
     30 vectors produced by pass  2 Test12= 2.46D-14 2.78D-09 XBig12= 1.44D-03 7.40D-03.
     30 vectors produced by pass  3 Test12= 2.46D-14 2.78D-09 XBig12= 2.20D-05 1.12D-03.
     30 vectors produced by pass  4 Test12= 2.46D-14 2.78D-09 XBig12= 3.41D-07 1.35D-04.
     30 vectors produced by pass  5 Test12= 2.46D-14 2.78D-09 XBig12= 5.64D-09 1.28D-05.
     30 vectors produced by pass  6 Test12= 2.46D-14 2.78D-09 XBig12= 4.59D-11 1.04D-06.
     30 vectors produced by pass  7 Test12= 2.46D-14 2.78D-09 XBig12= 3.38D-13 8.95D-08.
      8 vectors produced by pass  8 Test12= 2.46D-14 2.78D-09 XBig12= 2.45D-15 6.11D-09.
      2 vectors produced by pass  9 Test12= 2.46D-14 2.78D-09 XBig12= 5.10D-16 3.75D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   250 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   35511 ScalPx= 3.49D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   35511 ScalPx= 3.49D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   35511 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.39D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.723237D+02 -0.579592D+01 -0.250165D-03
      2  -0.579592D+01  0.767504D+02  0.214781D-03
      3  -0.250165D-03  0.214781D-03  0.617551D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.806291D+01  0.508101D+01  0.830265D-04
      2  -0.250769D+02 -0.939546D+01 -0.665936D-03
      3   0.218376D-03  0.116234D-05  0.162219D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.408612D-02  0.185893D-02 -0.389177D+02
      2   0.236564D-02 -0.637198D-03 -0.185061D+01
      3   0.172048D-02 -0.122173D-02  0.407683D+02
      4   0.182279D-03  0.132142D-02 -0.130318D+02
      5  -0.175880D+02 -0.344832D+01  0.466202D-03
      6  -0.517137D+00  0.954487D+00 -0.168018D-02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.475412D-02 -0.113792D+01  0.245954D+00  0.127030D+01 -0.109526D+01
      2  -0.113792D+01 -0.765011D+00 -0.840706D+00 -0.109526D+01  0.524436D+01
      3   0.245954D+00 -0.840706D+00 -0.825149D+00  0.540080D-01  0.101287D+01
                 6             7             8             9            10 
      1   0.540080D-01  0.152714D+01 -0.152796D+01 -0.118662D+00  0.150572D+01
      2   0.101287D+01 -0.152796D+01  0.144065D+01 -0.594003D+00 -0.251025D+01
      3   0.586090D+00 -0.118662D+00 -0.594003D+00  0.443851D-01 -0.576650D+00
                11            12            13            14            15 
      1  -0.251025D+01 -0.576650D+00 -0.437206D+01  0.360726D+00 -0.106607D+01
      2  -0.179313D+00 -0.434528D-01  0.360726D+00 -0.112578D+02 -0.191392D+01
      3  -0.434528D-01  0.724315D+00 -0.106607D+01 -0.191392D+01 -0.308390D+01
                16            17            18            19            20 
      1  -0.121624D+01  0.241107D+00 -0.287635D-01 -0.560563D+01  0.144407D+01
      2   0.241107D+00 -0.269576D+01 -0.286776D+01  0.144407D+01 -0.924763D+00
      3  -0.287635D-01 -0.286776D+01 -0.250145D+01 -0.182715D+01  0.372869D+00
                21            22            23            24            25 
      1  -0.182715D+01 -0.582199D+00 -0.100146D+01 -0.402814D+00 -0.304780D+01
      2   0.372869D+00 -0.100146D+01 -0.153182D+01 -0.198588D+01  0.723819D+00
      3  -0.120213D+01 -0.402814D+00 -0.198588D+01 -0.511279D+00 -0.283881D+01
                26            27            28            29            30 
      1   0.723819D+00 -0.283881D+01 -0.435341D+01  0.152325D+01 -0.809044D-01
      2  -0.228346D+01  0.879715D+00  0.152325D+01  0.117248D+01  0.671508D-01
      3   0.879715D+00 -0.342307D+01 -0.809044D-01  0.671508D-01  0.236443D+01
                31            32            33            34            35 
      1   0.242660D+01  0.195493D+01 -0.622826D+00 -0.516280D+00  0.156768D+00
      2   0.195493D+01 -0.263580D+01 -0.727109D+00  0.156768D+00 -0.468010D+00
      3  -0.622826D+00 -0.727109D+00  0.323831D+01  0.210704D+01  0.192093D+01
                36            37            38            39            40 
      1   0.210704D+01  0.435381D+01 -0.152286D+01 -0.818072D-01 -0.242610D+01
      2   0.192093D+01 -0.152286D+01 -0.117250D+01  0.669170D-01 -0.195485D+01
      3  -0.253247D+01 -0.818072D-01  0.669170D-01 -0.236413D+01 -0.622893D+00
                41            42            43            44            45 
      1  -0.195485D+01 -0.622893D+00 -0.516934D+00  0.156418D+00 -0.210653D+01
      2   0.263637D+01 -0.727585D+00  0.156418D+00 -0.468506D+00 -0.192051D+01
      3  -0.727585D+00 -0.323797D+01 -0.210653D+01 -0.192051D+01 -0.253303D+01
                46            47            48            49            50 
      1   0.359427D-02  0.113772D+01  0.246471D+00 -0.127090D+01  0.109468D+01
      2   0.113772D+01  0.764337D+00 -0.840442D+00  0.109468D+01 -0.524505D+01
      3   0.246471D+00 -0.840442D+00  0.824393D+00  0.542444D-01  0.101310D+01
                51            52            53            54            55 
      1   0.542444D-01  0.152742D+01 -0.152755D+01  0.118050D+00 -0.150516D+01
      2   0.101310D+01 -0.152755D+01  0.144035D+01  0.593818D+00  0.251027D+01
      3  -0.586241D+00  0.118050D+00  0.593818D+00  0.445321D-01 -0.576610D+00
                56            57            58            59            60 
      1   0.251027D+01 -0.576610D+00  0.437224D+01 -0.360271D+00 -0.106613D+01
      2   0.179730D+00 -0.435182D-01 -0.360271D+00  0.112581D+02 -0.191388D+01
      3  -0.435182D-01 -0.723990D+00 -0.106613D+01 -0.191388D+01  0.308394D+01
                61            62            63            64            65 
      1  -0.121603D+01  0.241076D+00  0.289864D-01 -0.415266D+01  0.151862D+01
      2   0.241076D+00 -0.269527D+01  0.286764D+01  0.151862D+01 -0.209268D+01
      3   0.289864D-01  0.286764D+01 -0.250117D+01  0.168539D+01 -0.187453D+00
                66            67            68            69            70 
      1   0.168539D+01 -0.435070D+00 -0.225814D+01  0.931708D+00  0.275660D+01
      2  -0.187453D+00 -0.225814D+01  0.601951D+01  0.186677D+01 -0.225705D-01
      3  -0.185231D+01  0.931708D+00  0.186677D+01  0.101962D+00 -0.186326D+01
                71            72            73            74            75 
      1  -0.225705D-01 -0.186326D+01  0.415276D+01 -0.151834D+01  0.168518D+01
      2   0.202888D+01  0.155877D+01 -0.151834D+01  0.209364D+01 -0.187740D+00
      3   0.155877D+01  0.253457D+01  0.168518D+01 -0.187740D+00  0.185241D+01
                76            77            78            79            80 
      1   0.435313D+00  0.225858D+01  0.931550D+00  0.275571D+01 -0.225984D-01
      2   0.225858D+01 -0.601881D+01  0.186684D+01 -0.225984D-01  0.202886D+01
      3   0.931550D+00  0.186684D+01 -0.101890D+00  0.186294D+01 -0.155867D+01
                81            82            83            84            85 
      1   0.186294D+01  0.560531D+01 -0.144406D+01 -0.182725D+01  0.582043D+00
      2  -0.155867D+01 -0.144406D+01  0.924863D+00  0.372767D+00  0.100135D+01
      3   0.253400D+01 -0.182725D+01  0.372767D+00  0.120228D+01 -0.402771D+00
                86            87            88            89            90 
      1   0.100135D+01 -0.402771D+00 -0.304768D+01  0.723741D+00  0.283883D+01
      2   0.153198D+01 -0.198590D+01  0.723741D+00 -0.228347D+01 -0.879713D+00
      3  -0.198590D+01  0.511258D+00  0.283883D+01 -0.879713D+00 -0.342342D+01
                91            92            93            94            95 
      1  -0.133264D+01 -0.829375D+00  0.187288D+01 -0.140244D+01 -0.103474D+01
      2  -0.829375D+00 -0.859204D+00  0.259243D+00 -0.103474D+01 -0.106870D+01
      3   0.187288D+01  0.259243D+00 -0.239015D+01  0.555770D+00  0.152045D+01
                96            97            98            99           100 
      1   0.555770D+00  0.227607D+01  0.444962D+00 -0.224721D+01  0.133241D+01
      2   0.152045D+01  0.444962D+00  0.163838D+01 -0.138570D+01  0.829360D+00
      3  -0.229785D+01 -0.224721D+01 -0.138570D+01  0.647946D+01  0.187289D+01
               101           102           103           104           105 
      1   0.829360D+00  0.187289D+01  0.140236D+01  0.103474D+01  0.555756D+00
      2   0.859197D+00  0.259253D+00  0.103474D+01  0.106870D+01  0.152044D+01
      3   0.259253D+00  0.239001D+01  0.555756D+00  0.152044D+01  0.229779D+01
               106           107           108           109           110 
      1   0.227610D+01  0.444997D+00  0.224703D+01  0.907811D+00 -0.865936D+00
      2   0.444997D+00  0.163849D+01  0.138569D+01 -0.865936D+00  0.645433D+00
      3   0.224703D+01  0.138569D+01  0.647941D+01  0.363127D+00  0.166934D+00
               111           112           113           114           115 
      1   0.363127D+00 -0.267245D+01  0.122328D+01  0.103439D+01  0.116576D+01
      2   0.166934D+00  0.122328D+01 -0.441876D+01  0.432506D+00 -0.167651D-01
      3   0.658141D-01  0.103439D+01  0.432506D+00 -0.177307D+01 -0.341520D+00
               116           117           118           119           120 
      1  -0.167651D-01 -0.341520D+00 -0.907879D+00  0.865789D+00  0.363049D+00
      2   0.108154D+01 -0.867288D+00  0.865789D+00 -0.645639D+00  0.166696D+00
      3  -0.867288D+00  0.424091D+00  0.363049D+00  0.166696D+00 -0.660525D-01
               121           122           123           124           125 
      1   0.267256D+01 -0.122331D+01  0.103426D+01  0.116581D+01 -0.169442D-01
      2  -0.122331D+01  0.441841D+01  0.432489D+00 -0.169442D-01  0.108137D+01
      3   0.103426D+01  0.432489D+00  0.177285D+01  0.341298D+00  0.867056D+00
               126           127           128           129           130 
      1   0.341298D+00  0.356592D+01  0.333947D+00 -0.168259D+01  0.167980D+01
      2   0.867056D+00  0.333947D+00  0.100916D+01  0.205721D+00  0.321467D+00
      3   0.423843D+00 -0.168259D+01  0.205721D+00  0.143283D+01 -0.484143D+00
               131           132           133           134           135 
      1   0.321467D+00 -0.484143D+00 -0.294546D+01  0.772388D-03  0.115161D+01
      2   0.253594D+01 -0.205638D+00  0.772388D-03 -0.742125D+00  0.426328D+00
      3  -0.205638D+00  0.111193D+01  0.115161D+01  0.426328D+00 -0.102521D+01
               136           137           138           139           140 
      1  -0.356523D+01 -0.334278D+00 -0.168198D+01 -0.167999D+01 -0.321726D+00
      2  -0.334278D+00 -0.100973D+01  0.205760D+00 -0.321726D+00 -0.253669D+01
      3  -0.168198D+01  0.205760D+00 -0.143256D+01 -0.484033D+00 -0.205535D+00
               141           142           143           144 
      1  -0.484033D+00 -0.294420D+01  0.729108D-03 -0.115102D+01
      2  -0.205535D+00  0.729108D-03 -0.741926D+00 -0.426304D+00
      3  -0.111193D+01 -0.115102D+01 -0.426304D+00 -0.102448D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.194959D+01 -0.308936D+01 -0.242328D+01 -0.392782D+01 -0.490260D+01
      2   0.985359D+01  0.554001D+01  0.585602D+01  0.603470D+01 -0.704912D+00
      3   0.324734D+01 -0.497268D+01 -0.279750D+01 -0.551496D+01  0.429879D+01
                 6             7             8             9            10 
      1   0.279203D+01  0.492592D+00  0.410541D+01  0.376555D+01  0.203074D+01
      2   0.198850D+01 -0.455953D+01  0.288462D+00 -0.963913D+01 -0.692676D+00
      3   0.291496D+01 -0.754736D+01  0.525624D+01 -0.221264D+01 -0.617129D+01
                11            12            13            14            15 
      1   0.161657D+00  0.693892D+00 -0.188131D+01  0.458513D+01 -0.989655D+01
      2  -0.213080D+01  0.438365D+00 -0.158143D+01  0.343284D+01  0.314430D+01
      3  -0.740431D+00  0.474046D+00  0.137947D+02 -0.169907D+02 -0.922767D+00
                16            17            18            19            20 
      1  -0.155815D+01  0.196582D+01 -0.425488D+01 -0.922141D-01  0.232466D+01
      2  -0.399996D+01  0.504668D+01  0.573725D+01 -0.148217D+01 -0.114234D+01
      3   0.469893D+01 -0.391075D+01 -0.407895D+01  0.887278D+00 -0.691384D+01
                21            22            23            24            25 
      1   0.200971D+01  0.203968D+01  0.429569D+01  0.941547D+00 -0.566133D+00
      2   0.498059D+01 -0.954870D+00  0.439522D+01  0.577439D+00  0.290080D+01
      3   0.112662D+00 -0.143882D+01 -0.643427D+01 -0.664549D+01 -0.317262D+00
                26            27            28            29            30 
      1   0.635226D+01  0.133089D+01  0.184415D+01  0.150609D+01 -0.284746D+00
      2   0.922967D+00  0.107553D+02  0.929693D+01 -0.443869D+00  0.116331D+01
      3  -0.892645D+01  0.101268D+01  0.118773D+01 -0.169166D+01 -0.257981D+00
                31            32            33            34            35 
      1   0.294865D+01 -0.345115D+01 -0.131890D+01  0.507592D+00  0.336833D+01
      2  -0.520166D+01 -0.161626D+01  0.831594D+00 -0.579850D+01 -0.349977D+00
      3   0.360798D+01 -0.173299D+01 -0.148414D+01  0.527004D-01 -0.109908D+01
                36            37            38            39            40 
      1   0.195151D+01 -0.184376D+01 -0.150613D+01 -0.284986D+00 -0.294853D+01
      2   0.219752D+01 -0.929859D+01  0.442874D+00  0.116515D+01  0.520012D+01
      3   0.885387D+00  0.118727D+01 -0.169142D+01  0.258400D+00  0.360822D+01
                41            42            43            44            45 
      1   0.345251D+01 -0.131939D+01  0.506780D+00  0.336772D+01 -0.195099D+01
      2   0.161523D+01  0.832341D+00 -0.579666D+01 -0.348561D+00 -0.219970D+01
      3  -0.173421D+01  0.148487D+01 -0.517831D-01  0.109954D+01  0.884606D+00
                46            47            48            49            50 
      1   0.194832D+01  0.308899D+01 -0.242149D+01  0.392748D+01  0.490126D+01
      2  -0.985244D+01 -0.553834D+01  0.585504D+01 -0.603209D+01  0.706023D+00
      3   0.324654D+01 -0.497194D+01  0.279723D+01 -0.551517D+01  0.429927D+01
                51            52            53            54            55 
      1   0.279234D+01  0.492427D+00  0.410563D+01 -0.376476D+01 -0.203000D+01
      2   0.198656D+01 -0.455977D+01  0.287901D+00  0.963974D+01  0.693380D+00
      3  -0.291533D+01  0.754577D+01 -0.525550D+01 -0.221203D+01 -0.616947D+01
                56            57            58            59            60 
      1  -0.161801D+00  0.692528D+00  0.188078D+01 -0.458506D+01 -0.989623D+01
      2   0.213055D+01  0.438518D+00  0.158036D+01 -0.343278D+01  0.314500D+01
      3  -0.741349D+00 -0.474437D+00  0.137941D+02 -0.169901D+02  0.922943D+00
                61            62            63            64            65 
      1  -0.155851D+01  0.196595D+01  0.425449D+01 -0.403980D+01 -0.280883D+01
      2  -0.400010D+01  0.504616D+01 -0.573627D+01  0.431671D+00 -0.218227D+01
      3  -0.469858D+01  0.391034D+01 -0.407816D+01 -0.119436D+02 -0.589298D+01
                66            67            68            69            70 
      1   0.498122D+01 -0.586847D+01  0.558689D+01 -0.190220D+01  0.490040D+01
      2   0.397829D+01 -0.622355D+00  0.735054D+00 -0.216258D+01 -0.238477D+01
      3   0.580377D+01  0.116487D+00  0.403420D+01  0.546852D+01  0.910678D+01
                71            72            73            74            75 
      1   0.478431D+01 -0.389926D+01  0.403944D+01  0.280947D+01  0.498132D+01
      2  -0.146104D+01 -0.191666D+01 -0.432851D+00  0.218168D+01  0.397826D+01
      3   0.293777D+01 -0.292541D+01 -0.119443D+02 -0.589510D+01 -0.580240D+01
                76            77            78            79            80 
      1   0.586915D+01 -0.558662D+01 -0.190123D+01  0.489946D+01  0.478520D+01
      2   0.622347D+00 -0.735574D+00 -0.216235D+01 -0.238491D+01 -0.146064D+01
      3   0.114052D+00  0.403293D+01 -0.546857D+01 -0.910441D+01 -0.293748D+01
                81            82            83            84            85 
      1   0.389762D+01  0.923736D-01 -0.232469D+01  0.200933D+01 -0.203933D+01
      2   0.191601D+01  0.148229D+01  0.114185D+01  0.498034D+01  0.954486D+00
      3  -0.292476D+01  0.886962D+00 -0.691390D+01 -0.112409D+00 -0.143767D+01
                86            87            88            89            90 
      1  -0.429596D+01  0.941997D+00 -0.565765D+00  0.635265D+01 -0.133134D+01
      2  -0.439534D+01  0.577845D+00  0.290018D+01  0.922982D+00 -0.107553D+02
      3  -0.643410D+01  0.664525D+01  0.317466D+00  0.892618D+01  0.101251D+01
                91            92            93            94            95 
      1  -0.973126D+00 -0.130650D+01  0.657304D-02 -0.126138D+01 -0.134341D+01
      2   0.224351D+00  0.521859D+00 -0.747069D-03  0.173927D+01  0.500310D-02
      3  -0.472168D+00 -0.169948D+01  0.206989D+00  0.207143D+00 -0.114288D+01
                96            97            98            99           100 
      1   0.113056D+01  0.182256D+00  0.336551D+01 -0.114362D+01  0.973061D+00
      2   0.717615D+00 -0.285802D+01  0.271762D+00 -0.229487D+01 -0.223942D+00
      3   0.167292D+01 -0.289109D+00  0.208192D+01 -0.629989D+00 -0.471965D+00
               101           102           103           104           105 
      1   0.130643D+01  0.644573D-02  0.126140D+01  0.134313D+01  0.113047D+01
      2  -0.521882D+00 -0.877572D-03 -0.173919D+01 -0.501357D-02  0.717547D+00
      3  -0.169935D+01 -0.206919D+00  0.207313D+00 -0.114260D+01 -0.167287D+01
               106           107           108           109           110 
      1   0.182260D+00  0.336544D+01  0.114314D+01  0.147659D+01  0.978496D+00
      2  -0.285807D+01  0.271576D+00  0.229527D+01 -0.632837D-01 -0.540628D+00
      3   0.289247D+00 -0.208202D+01 -0.629738D+00  0.271705D+01 -0.519370D+00
               111           112           113           114           115 
      1  -0.565511D+00  0.665898D+00  0.711258D+01 -0.366153D+01 -0.889689D+00
      2   0.154322D-01  0.677896D+00  0.266643D+01 -0.458990D+01 -0.843612D+00
      3  -0.134926D+01  0.910331D+00  0.139913D+02 -0.389250D+01 -0.159023D+01
               116           117           118           119           120 
      1  -0.263411D+01  0.161220D+01 -0.147636D+01 -0.978244D+00 -0.564958D+00
      2  -0.307959D+01  0.294963D+01  0.636091D-01  0.541206D+00  0.159498D-01
      3  -0.566689D+01  0.343598D+01  0.271668D+01 -0.519891D+00  0.134843D+01
               121           122           123           124           125 
      1  -0.665982D+00 -0.711166D+01 -0.366098D+01 -0.889190D+00 -0.263336D+01
      2  -0.677770D+00 -0.266617D+01 -0.458949D+01 -0.843279D+00 -0.307900D+01
      3   0.910556D+00  0.139909D+02  0.389241D+01  0.158985D+01  0.566649D+01
               126           127           128           129           130 
      1  -0.161131D+01  0.682558D+01  0.214818D+01 -0.441800D+01  0.308357D+01
      2  -0.294901D+01 -0.157052D+01  0.471021D+00 -0.991389D+00 -0.504688D+00
      3   0.343503D+01  0.119971D+02  0.324228D+01 -0.664190D+01  0.639930D+01
               131           132           133           134           135 
      1   0.210898D+01 -0.352664D+01 -0.451778D+01 -0.211938D+01  0.372818D+01
      2   0.762765D-01 -0.507195D+00 -0.538819D+00 -0.190696D+00  0.169615D+01
      3   0.252724D+01 -0.269924D+01 -0.957460D+01 -0.254628D+01  0.451318D+01
               136           137           138           139           140 
      1  -0.682540D+01 -0.214843D+01 -0.441805D+01 -0.308365D+01 -0.210982D+01
      2   0.157052D+01 -0.470804D+00 -0.990936D+00  0.504874D+00 -0.760335D-01
      3   0.119973D+02  0.324274D+01  0.664117D+01  0.640006D+01  0.252894D+01
               141           142           143           144 
      1  -0.352663D+01 -0.451687D+01 -0.211902D+01 -0.372730D+01
      2  -0.507225D+00 -0.538624D+00 -0.190769D+00 -0.169577D+01
      3   0.269890D+01  0.957258D+01  0.254598D+01  0.451231D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.528148D+01 -0.709622D+00 -0.991577D+00  0.576607D+01  0.161961D+02
      2   0.257293D+01  0.152396D+01  0.388256D+01 -0.558027D+01 -0.245607D+02
      3   0.270854D+01 -0.814338D+00 -0.289098D+01 -0.185805D+00  0.836453D+01
      4   0.924461D+01  0.154460D+01  0.227428D+01 -0.900006D+01 -0.127688D+02
      5  -0.681673D+01  0.230102D+01 -0.387842D+00 -0.230060D+01 -0.209225D+01
      6  -0.130627D+01 -0.288359D+01  0.771137D+01 -0.364805D+01 -0.818425D+01
                 6             7             8             9            10 
      1   0.395772D+01 -0.114136D+02  0.887406D+01  0.327492D+01 -0.318295D+00
      2  -0.249154D+01  0.816000D+01 -0.907652D+01 -0.237753D+01  0.479129D+01
      3  -0.146619D+01  0.325358D+01  0.202461D+00 -0.897382D+00 -0.447299D+01
      4  -0.480979D+01 -0.606050D+00 -0.785135D+01  0.187933D+01  0.583439D+01
      5   0.464243D+01  0.214946D+00  0.439636D+01 -0.683929D+01  0.103566D+01
      6  -0.127256D+02  0.108553D+01 -0.154215D+01 -0.394939D+01  0.378685D+01
                11            12            13            14            15 
      1   0.876417D+01  0.264164D+01  0.942238D+01 -0.286536D+02 -0.366774D+01
      2  -0.390444D+01 -0.179696D+01 -0.333205D+01  0.478735D+02  0.316866D+01
      3  -0.485973D+01 -0.844682D+00 -0.609032D+01 -0.192200D+02  0.499074D+00
      4   0.135405D+02  0.248559D+01  0.156165D+02  0.323284D+02  0.562042D+01
      5   0.252040D+01  0.489180D+01  0.667958D+01  0.832576D+00  0.575631D+01
      6   0.477731D+00 -0.215022D+01  0.155772D+01  0.162578D+02  0.175143D+02
                16            17            18            19            20 
      1   0.432178D+01 -0.101493D+02 -0.109984D+02  0.409837D+02 -0.563032D+01
      2  -0.283655D+01  0.748597D+01  0.284509D+01 -0.245703D+02  0.275328D+01
      3  -0.148524D+01  0.266337D+01  0.815333D+01 -0.164135D+02  0.287704D+01
      4   0.345315D+01  0.800592D+01  0.819121D+01 -0.849696D+01  0.937199D+01
      5   0.589615D+01  0.582789D+01  0.610014D+01  0.153177D+02 -0.308306D+01
      6  -0.491070D+00  0.154657D+02  0.117369D+02 -0.339052D+01  0.319539D+01
                21            22            23            24            25 
      1   0.771547D+01 -0.555309D+00  0.172257D+01  0.270938D+01  0.138585D+02
      2  -0.675375D+01  0.462659D+00 -0.136279D+01 -0.201290D+01 -0.118709D+02
      3  -0.961720D+00  0.926505D-01 -0.359776D+00 -0.696475D+00 -0.198755D+01
      4  -0.287051D+01  0.104625D+02  0.499940D+01  0.872663D+01 -0.500315D+01
      5   0.143890D+02  0.493469D+00  0.938775D+01 -0.521129D+00  0.176604D+02
      6  -0.456847D+01  0.281451D+01 -0.195134D+01  0.761696D+01 -0.327981D+01
                26            27            28            29            30 
      1  -0.776537D+00  0.469063D+01  0.795232D+00 -0.285935D+01 -0.439524D+01
      2   0.629553D+00 -0.148091D+02  0.162782D+01  0.394303D+01 -0.433651D+01
      3   0.146984D+00  0.101184D+02 -0.242306D+01 -0.108368D+01  0.873175D+01
      4   0.108123D+02 -0.363203D+01 -0.235098D+01 -0.149327D+01  0.182758D+01
      5  -0.520982D+01  0.193714D+02  0.880374D+00  0.117149D+01 -0.686218D+01
      6   0.716712D+01 -0.542332D+01  0.594086D+01  0.377451D+01 -0.151108D+01
                31            32            33            34            35 
      1   0.106989D+01  0.283275D+01 -0.315947D+01 -0.199168D+01 -0.343924D+01
      2   0.301506D+01 -0.509221D+01 -0.660247D+01 -0.350747D+01 -0.127627D+01
      3  -0.408496D+01  0.225946D+01  0.976194D+01  0.549916D+01  0.471550D+01
      4  -0.719790D+01  0.443308D+01  0.154299D+01  0.168205D+01  0.260277D+01
      5   0.228318D+01  0.475601D+01 -0.648984D+01 -0.514724D+01 -0.419396D+01
      6   0.198137D+01 -0.323659D+01 -0.796559D+01 -0.125443D+01 -0.206887D+00
                36            37            38            39            40 
      1  -0.681664D-01  0.796844D+00 -0.285898D+01  0.439433D+01  0.107054D+01
      2   0.949552D+01  0.162748D+01  0.394336D+01  0.433649D+01  0.301422D+01
      3  -0.942735D+01 -0.242432D+01 -0.108438D+01 -0.873081D+01 -0.408477D+01
      4  -0.265712D+01 -0.234916D+01 -0.149299D+01 -0.182742D+01 -0.719767D+01
      5   0.139836D+02 -0.881190D+00 -0.117140D+01 -0.686108D+01 -0.228290D+01
      6   0.894613D+01 -0.594025D+01 -0.377506D+01 -0.151050D+01 -0.198175D+01
                41            42            43            44            45 
      1   0.283318D+01  0.315860D+01  0.199046D+01  0.343786D+01 -0.670341D-01
      2  -0.509190D+01  0.660217D+01  0.350725D+01  0.127709D+01  0.949458D+01
      3   0.225872D+01 -0.976077D+01 -0.549772D+01 -0.471496D+01 -0.942755D+01
      4   0.443501D+01 -0.154402D+01 -0.168207D+01 -0.260372D+01 -0.265596D+01
      5  -0.475756D+01 -0.648873D+01 -0.514495D+01 -0.419272D+01 -0.139848D+02
      6   0.323745D+01 -0.796659D+01 -0.125388D+01 -0.206828D+00 -0.894609D+01
                46            47            48            49            50 
      1  -0.528254D+01 -0.708743D+00  0.991947D+00  0.576527D+01  0.161947D+02
      2   0.257349D+01  0.152227D+01 -0.388296D+01 -0.558035D+01 -0.245606D+02
      3   0.270904D+01 -0.813525D+00  0.289102D+01 -0.184922D+00  0.836598D+01
      4   0.924282D+01  0.154282D+01 -0.227299D+01 -0.900195D+01 -0.127710D+02
      5   0.681776D+01 -0.230046D+01 -0.388875D+00  0.230121D+01  0.209252D+01
      6   0.130702D+01  0.288454D+01  0.770946D+01  0.364755D+01  0.818443D+01
                51            52            53            54            55 
      1  -0.395665D+01  0.114131D+02 -0.887190D+01  0.327371D+01 -0.315869D+00
      2   0.249183D+01 -0.815889D+01  0.907493D+01 -0.237732D+01  0.479031D+01
      3   0.146482D+01 -0.325423D+01 -0.203026D+00 -0.896385D+00 -0.447444D+01
      4   0.480960D+01  0.606622D+00  0.785073D+01  0.187864D+01  0.583567D+01
      5   0.464135D+01  0.213595D+00  0.439574D+01  0.683969D+01 -0.103625D+01
      6  -0.127249D+02  0.108465D+01 -0.154231D+01  0.394856D+01 -0.378688D+01
                56            57            58            59            60 
      1   0.876369D+01 -0.264102D+01  0.942182D+01 -0.286521D+02  0.366686D+01
      2  -0.390339D+01  0.179688D+01 -0.333081D+01  0.478738D+02 -0.316838D+01
      3  -0.486030D+01  0.844136D+00 -0.609101D+01 -0.192217D+02 -0.498476D+00
      4   0.135426D+02 -0.248539D+01  0.156178D+02  0.323303D+02 -0.561984D+01
      5  -0.252021D+01  0.489224D+01 -0.668008D+01 -0.832262D+00  0.575721D+01
      6  -0.478695D+00 -0.214873D+01 -0.155740D+01 -0.162578D+02  0.175133D+02
                61            62            63            64            65 
      1  -0.432092D+01  0.101479D+02 -0.109971D+02  0.745260D+01  0.135592D+01
      2   0.283614D+01 -0.748426D+01  0.284537D+01 -0.403101D+01 -0.528181D+01
      3   0.148478D+01 -0.266361D+01  0.815168D+01 -0.342159D+01  0.392589D+01
      4  -0.345267D+01 -0.800470D+01  0.819124D+01 -0.110589D+02  0.107859D+02
      5   0.589644D+01  0.582799D+01 -0.609946D+01 -0.274669D+01  0.210320D+01
      6  -0.490020D+00  0.154653D+02 -0.117360D+02  0.837050D+01 -0.457505D+01
                66            67            68            69            70 
      1   0.188481D+01 -0.879653D+00 -0.120420D+02 -0.375965D+01  0.668861D+00
      2   0.121836D+01 -0.432654D+01  0.209484D+02  0.526089D+01  0.119846D+01
      3  -0.310317D+01  0.520619D+01 -0.890639D+01 -0.150125D+01 -0.186732D+01
      4   0.414498D+01  0.102253D+02 -0.143676D+02 -0.225207D+01  0.671577D+01
      5   0.895587D+01  0.164233D+01 -0.790759D+01 -0.201796D+01  0.737384D+01
      6  -0.511560D+01 -0.168174D+01  0.132171D+02  0.119631D+02 -0.537270D+01
                71            72            73            74            75 
      1  -0.602695D+01 -0.574363D+01  0.745432D+01  0.135810D+01 -0.188489D+01
      2   0.460466D+01 -0.332531D+01 -0.403322D+01 -0.528522D+01 -0.121802D+01
      3   0.142229D+01  0.906894D+01 -0.342110D+01  0.392712D+01  0.310291D+01
      4  -0.473815D+01 -0.571974D+01 -0.110591D+02  0.107860D+02 -0.414522D+01
      5  -0.399405D+01 -0.506463D+01  0.274751D+01 -0.210416D+01  0.895687D+01
      6   0.937568D+01  0.970058D+01 -0.836976D+01  0.457601D+01 -0.511568D+01
                76            77            78            79            80 
      1  -0.878402D+00 -0.120394D+02  0.375953D+01 -0.668703D+00  0.602707D+01
      2  -0.432788D+01  0.209442D+02 -0.526072D+01 -0.119858D+01 -0.460514D+01
      3   0.520629D+01 -0.890486D+01  0.150119D+01  0.186729D+01 -0.142194D+01
      4   0.102251D+02 -0.143688D+02  0.225246D+01 -0.671491D+01  0.473713D+01
      5  -0.164271D+01  0.790856D+01 -0.201816D+01  0.737445D+01 -0.399378D+01
      6   0.168239D+01 -0.132171D+02  0.119633D+02 -0.537155D+01  0.937514D+01
                81            82            83            84            85 
      1  -0.574258D+01  0.409807D+02 -0.563051D+01 -0.771580D+01 -0.555747D+00
      2  -0.332637D+01 -0.245691D+02  0.275366D+01  0.675410D+01  0.462948D+00
      3   0.906894D+01 -0.164116D+02  0.287686D+01  0.961700D+00  0.927995D-01
      4  -0.571889D+01 -0.849711D+01  0.937187D+01  0.287010D+01  0.104619D+02
      5   0.506392D+01 -0.153183D+02  0.308275D+01  0.143891D+02 -0.493442D+00
      6  -0.969950D+01  0.339025D+01 -0.319543D+01 -0.456819D+01 -0.281383D+01
                86            87            88            89            90 
      1   0.172219D+01 -0.270958D+01 -0.138576D+02  0.775973D+00  0.468994D+01
      2  -0.136321D+01  0.201289D+01  0.118704D+02 -0.629328D+00 -0.148093D+02
      3  -0.358984D+00  0.696695D+00  0.198724D+01 -0.146645D+00  0.101194D+02
      4   0.499979D+01 -0.872618D+01  0.500308D+01 -0.108122D+02 -0.363209D+01
      5  -0.938730D+01 -0.521176D+00  0.176603D+02 -0.520968D+01 -0.193722D+02
      6   0.195125D+01  0.761651D+01 -0.327980D+01  0.716746D+01  0.542383D+01
                91            92            93            94            95 
      1   0.283555D+01  0.139831D+01 -0.273724D+00  0.599115D+00 -0.222959D+01
      2  -0.692431D+01 -0.187988D+01  0.698366D+01 -0.169277D+01 -0.173856D+01
      3   0.408877D+01  0.481571D+00 -0.670994D+01  0.109366D+01  0.396815D+01
      4   0.275082D+01  0.325396D+01 -0.177138D+01  0.426368D+01  0.327028D+01
      5  -0.926280D+01 -0.238592D+01  0.127517D+02 -0.362464D+01 -0.530159D+01
      6  -0.326750D+01 -0.252868D+01  0.272742D+01 -0.303561D+01 -0.524857D+01
                96            97            98            99           100 
      1   0.371929D+01 -0.245648D+00  0.240813D+01 -0.100471D+02  0.283529D+01
      2   0.392083D+01  0.674693D+01  0.278764D+01 -0.167365D+02 -0.692399D+01
      3  -0.764013D+01 -0.650129D+01 -0.519577D+01  0.267835D+02  0.408870D+01
      4  -0.386858D+01 -0.197511D+01 -0.371981D+01  0.325975D+01  0.275084D+01
      5   0.717880D+01  0.115851D+02  0.426022D+01 -0.204952D+02  0.926250D+01
      6   0.899302D+01  0.251064D+01  0.630949D+01 -0.871143D+01  0.326784D+01
               101           102           103           104           105 
      1   0.139830D+01  0.273945D+00  0.599057D+00 -0.222963D+01 -0.371910D+01
      2  -0.187986D+01 -0.698320D+01 -0.169255D+01 -0.173840D+01 -0.392054D+01
      3   0.481562D+00  0.670925D+01  0.109349D+01  0.396802D+01  0.763964D+01
      4   0.325401D+01  0.177154D+01  0.426371D+01  0.327040D+01  0.386868D+01
      5   0.238599D+01  0.127511D+02  0.362448D+01  0.530165D+01  0.717868D+01
      6   0.252870D+01  0.272748D+01  0.303562D+01  0.524869D+01  0.899306D+01
               106           107           108           109           110 
      1   0.245977D+00 -0.240816D+01 -0.100469D+02  0.383826D+01 -0.392390D+01
      2  -0.674658D+01 -0.278765D+01 -0.167356D+02 -0.568276D+00  0.676084D+00
      3   0.650060D+01  0.519580D+01  0.267825D+02 -0.326998D+01  0.324781D+01
      4   0.197524D+01  0.372007D+01  0.325990D+01 -0.496026D+01  0.413226D+01
      5   0.115845D+02  0.426036D+01  0.204951D+02  0.182220D+01  0.713809D+00
      6   0.251077D+01  0.630960D+01  0.871220D+01 -0.102441D+00 -0.120613D+00
               111           112           113           114           115 
      1   0.103120D+01 -0.111005D+02  0.269107D+01  0.271410D+01  0.634550D+01
      2  -0.116515D+01  0.468717D+01  0.403799D+01 -0.366125D+01 -0.332950D+01
      3   0.133956D+00  0.641331D+01 -0.672906D+01  0.947145D+00 -0.301600D+01
      4  -0.309205D+00  0.787498D+01 -0.200140D+02  0.935375D+00 -0.850509D+00
      5   0.224748D+00  0.507989D+01  0.196176D+01 -0.709125D+01 -0.974654D+00
      6  -0.218373D+00 -0.246709D+01  0.475617D+01  0.183486D+01  0.430851D+00
               116           117           118           119           120 
      1  -0.115174D+01 -0.156348D+01  0.383856D+01 -0.392317D+01 -0.103074D+01
      2  -0.298894D+00  0.231958D+01 -0.568569D+00  0.675290D+00  0.116464D+01
      3   0.145064D+01 -0.756106D+00 -0.326999D+01  0.324788D+01 -0.133904D+00
      4   0.484553D+01 -0.295709D+01 -0.495991D+01  0.413271D+01  0.309871D+00
      5  -0.348355D+01  0.298460D+01 -0.182200D+01 -0.712803D+00  0.225583D+00
      6   0.572810D+00  0.432555D+00  0.102383D+00  0.120180D+00 -0.218757D+00
               121           122           123           124           125 
      1  -0.111011D+02  0.269173D+01 -0.271359D+01 -0.634560D+01  0.115260D+01
      2   0.468742D+01  0.403704D+01  0.366077D+01  0.332939D+01  0.298025D+00
      3   0.641366D+01 -0.672878D+01 -0.947184D+00  0.301621D+01 -0.145063D+01
      4   0.787516D+01 -0.200133D+02 -0.935732D+00  0.851231D+00 -0.484539D+01
      5  -0.507923D+01 -0.196194D+01 -0.709072D+01 -0.973634D+00 -0.348283D+01
      6   0.246659D+01 -0.475569D+01  0.183424D+01  0.430426D+00  0.572468D+00
               126           127           128           129           130 
      1  -0.156246D+01 -0.209032D+01 -0.226010D+01 -0.286788D+01 -0.238908D+01
      2   0.231856D+01  0.299418D+01  0.410260D+01 -0.679776D+00  0.290199D+01
      3  -0.756098D+00 -0.903854D+00 -0.184250D+01  0.354765D+01 -0.512911D+00
      4  -0.295672D+01  0.613953D+01 -0.276229D+01 -0.226256D+01  0.391716D+01
      5  -0.298386D+01  0.170893D+01  0.118081D+01 -0.308689D+01  0.171041D+01
      6  -0.432935D+00 -0.441774D+01  0.406109D+01  0.312515D+01 -0.110453D+01
               131           132           133           134           135 
      1  -0.610141D+01 -0.133599D+00  0.133259D+01  0.166418D+01 -0.130877D+00
      2   0.110618D+02 -0.205906D+01 -0.129839D+01 -0.365891D+01  0.200421D+01
      3  -0.496037D+01  0.219266D+01 -0.341982D-01  0.199474D+01 -0.187333D+01
      4  -0.779708D+00 -0.616341D+00 -0.490088D+01  0.368253D+01  0.163543D+01
      5   0.706639D+00 -0.145779D+01 -0.448034D+00 -0.502002D+00  0.229419D+01
      6   0.152069D+01  0.364763D+01  0.347298D+01  0.123360D+01 -0.243987D+01
               136           137           138           139           140 
      1  -0.209096D+01 -0.226170D+01  0.286720D+01 -0.239046D+01 -0.610348D+01
      2   0.299545D+01  0.410503D+01  0.679799D+00  0.290386D+01  0.110654D+02
      3  -0.904488D+00 -0.184333D+01 -0.354700D+01 -0.513400D+00 -0.496191D+01
      4   0.613776D+01 -0.276027D+01  0.226095D+01  0.391754D+01 -0.779523D+00
      5  -0.170894D+01 -0.118123D+01 -0.308613D+01 -0.171095D+01 -0.706967D+00
      6   0.441566D+01 -0.406103D+01  0.312472D+01  0.110400D+01 -0.152201D+01
               141           142           143           144 
      1   0.133753D+00 -0.133290D+01 -0.166402D+01 -0.131590D+00
      2   0.205909D+01  0.129854D+01  0.365895D+01  0.200409D+01
      3  -0.219284D+01  0.343578D-01 -0.199493D+01 -0.187250D+01
      4   0.616173D+00  0.489821D+01 -0.368167D+01  0.163413D+01
      5  -0.145802D+01 -0.447441D+00 -0.502079D+00 -0.229340D+01
      6   0.364747D+01  0.347150D+01  0.123417D+01  0.243807D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 18:21:56 2021, MaxMem= 10737418240 cpu:           10144.8 elap:             634.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.34443 -19.34442 -19.31369 -19.31368 -19.29315
 Alpha  occ. eigenvalues --  -19.29313 -10.47236 -10.47235 -10.41308 -10.41294
 Alpha  occ. eigenvalues --   -1.24513  -1.23865  -1.17254  -1.16979  -1.15451
 Alpha  occ. eigenvalues --   -1.14237  -0.89878  -0.82115  -0.74129  -0.74126
 Alpha  occ. eigenvalues --   -0.70313  -0.66741  -0.66706  -0.60916  -0.60483
 Alpha  occ. eigenvalues --   -0.58607  -0.57826  -0.55613  -0.54425  -0.53826
 Alpha  occ. eigenvalues --   -0.50689  -0.50076  -0.46905  -0.46501  -0.45157
 Alpha  occ. eigenvalues --   -0.44514  -0.44354  -0.38859  -0.38449
 Alpha virt. eigenvalues --    0.02911   0.04185   0.06834   0.07466   0.09181
 Alpha virt. eigenvalues --    0.09949   0.12711   0.12721   0.13373   0.14705
 Alpha virt. eigenvalues --    0.14729   0.16751   0.17352   0.18139   0.18879
 Alpha virt. eigenvalues --    0.19099   0.19564   0.20539   0.21239   0.22037
 Alpha virt. eigenvalues --    0.22628   0.22876   0.23136   0.24772   0.25278
 Alpha virt. eigenvalues --    0.25916   0.26045   0.27346   0.29406   0.29444
 Alpha virt. eigenvalues --    0.29652   0.30093   0.31062   0.32201   0.32556
 Alpha virt. eigenvalues --    0.32809   0.34488   0.34590   0.36378   0.36622
 Alpha virt. eigenvalues --    0.37411   0.38011   0.39122   0.40386   0.41074
 Alpha virt. eigenvalues --    0.41404   0.41926   0.42072   0.43832   0.43857
 Alpha virt. eigenvalues --    0.44479   0.44706   0.46223   0.47292   0.48241
 Alpha virt. eigenvalues --    0.49817   0.50457   0.50880   0.51664   0.52222
 Alpha virt. eigenvalues --    0.52637   0.53852   0.54359   0.54456   0.56152
 Alpha virt. eigenvalues --    0.56241   0.56491   0.57006   0.57496   0.59341
 Alpha virt. eigenvalues --    0.59881   0.60170   0.61276   0.62278   0.64432
 Alpha virt. eigenvalues --    0.64498   0.65104   0.66508   0.66625   0.66798
 Alpha virt. eigenvalues --    0.68066   0.69140   0.69456   0.69863   0.71151
 Alpha virt. eigenvalues --    0.71239   0.72528   0.73144   0.73187   0.74291
 Alpha virt. eigenvalues --    0.76086   0.76151   0.77278   0.77447   0.80720
 Alpha virt. eigenvalues --    0.81061   0.83379   0.84061   0.84213   0.85075
 Alpha virt. eigenvalues --    0.85216   0.85274   0.87745   0.89188   0.91542
 Alpha virt. eigenvalues --    0.92191   0.94042   0.94128   0.96064   0.97553
 Alpha virt. eigenvalues --    1.00438   1.01392   1.01495   1.03025   1.04855
 Alpha virt. eigenvalues --    1.07519   1.09256   1.09927   1.11657   1.13120
 Alpha virt. eigenvalues --    1.15690   1.16485   1.18467   1.19945   1.20835
 Alpha virt. eigenvalues --    1.21805   1.22847   1.27978   1.29184   1.30063
 Alpha virt. eigenvalues --    1.36188   1.36916   1.39333   1.44670   1.51748
 Alpha virt. eigenvalues --    1.52538   1.53813   1.57012   1.58051   1.58720
 Alpha virt. eigenvalues --    1.59163   1.63178   1.66889   1.70721   1.71478
 Alpha virt. eigenvalues --    1.72820   1.74306   1.76844   1.78126   1.78947
 Alpha virt. eigenvalues --    1.81865   1.82923   1.84470   1.85914   1.85927
 Alpha virt. eigenvalues --    1.86899   1.89988   1.92264   1.94835   1.94895
 Alpha virt. eigenvalues --    1.96136   1.97731   2.00567   2.01231   2.02721
 Alpha virt. eigenvalues --    2.04840   2.06024   2.07600   2.10648   2.11637
 Alpha virt. eigenvalues --    2.13410   2.14067   2.18038   2.20197   2.21686
 Alpha virt. eigenvalues --    2.23403   2.24323   2.25055   2.28718   2.31559
 Alpha virt. eigenvalues --    2.33531   2.37817   2.41596   2.42154   2.43777
 Alpha virt. eigenvalues --    2.47008   2.47156   2.51238   2.53455   2.58353
 Alpha virt. eigenvalues --    2.60478   2.62886   2.65058   2.65273   2.85116
 Alpha virt. eigenvalues --    2.93635   2.95105   2.99824   3.01710   3.03325
 Alpha virt. eigenvalues --    3.03427   3.06050   3.06370   3.08994   3.11868
 Alpha virt. eigenvalues --    3.12700   3.15445   3.16566   3.17378   3.23721
 Alpha virt. eigenvalues --    3.25354   3.30273   3.30724   3.31777   3.34752
 Alpha virt. eigenvalues --    3.52919   3.53558   3.58070   3.64419   3.67851
 Alpha virt. eigenvalues --    3.68032   3.86607   3.87709   3.99741   4.01690
 Alpha virt. eigenvalues --    4.03192   4.06221
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.944069  -0.081493  -0.206921  -0.577867  -0.080357   0.034570
     2  O   -0.081493   8.519563   0.096068   0.141464   0.014260  -0.022776
     3  O   -0.206921   0.096068   8.266491   0.121743   0.009014  -0.025537
     4  C   -0.577867   0.141464   0.121743   5.566296   0.305584  -0.080355
     5  C   -0.080357   0.014260   0.009014   0.305584   5.566418  -0.578103
     6  C    0.034570  -0.022776  -0.025537  -0.080355  -0.578103   5.944442
     7  O   -0.022785   0.014505  -0.003459   0.014272   0.141538  -0.081650
     8  O    0.167176  -0.029764  -0.079328  -0.233755  -0.101701   0.029272
     9  O    0.029238  -0.078378  -0.013500  -0.101672  -0.233791   0.167230
    10  O   -0.025531  -0.003463   0.011758   0.009008   0.121775  -0.207002
    11  H   -0.048659   0.006662   0.009241   0.392291   0.012277   0.001424
    12  H    0.001419   0.003994   0.000454   0.012300   0.392315  -0.048681
    13  H    0.005346   0.002148  -0.000404   0.001553  -0.045205   0.146770
    14  H    0.146736  -0.024801   0.149575  -0.045174   0.001551   0.005347
    15  H   -0.036785   0.002529   0.010498   0.105931   0.014315  -0.007331
    16  H   -0.007336   0.029968   0.002887   0.014330   0.105946  -0.036801
               7          8          9         10         11         12
     1  C   -0.022785   0.167176   0.029238  -0.025531  -0.048659   0.001419
     2  O    0.014505  -0.029764  -0.078378  -0.003463   0.006662   0.003994
     3  O   -0.003459  -0.079328  -0.013500   0.011758   0.009241   0.000454
     4  C    0.014272  -0.233755  -0.101672   0.009008   0.392291   0.012300
     5  C    0.141538  -0.101701  -0.233791   0.121775   0.012277   0.392315
     6  C   -0.081650   0.029272   0.167230  -0.207002   0.001424  -0.048681
     7  O    8.519691  -0.078426  -0.029775   0.096104   0.003997   0.006657
     8  O   -0.078426   8.762870   0.036178  -0.013506  -0.063934   0.038912
     9  O   -0.029775   0.036178   8.762850  -0.079333   0.038908  -0.063935
    10  O    0.096104  -0.013506  -0.079333   8.266516   0.000453   0.009244
    11  H    0.003997  -0.063934   0.038908   0.000453   0.814941  -0.078181
    12  H    0.006657   0.038912  -0.063935   0.009244  -0.078181   0.814884
    13  H   -0.024809   0.000819   0.049592   0.149568   0.000217   0.003643
    14  H    0.002148   0.049580   0.000818  -0.000403   0.003642   0.000217
    15  H    0.029955   0.120713  -0.001055   0.002886   0.012183  -0.005776
    16  H    0.002530  -0.001058   0.120689   0.010499  -0.005773   0.012176
              13         14         15         16
     1  C    0.005346   0.146736  -0.036785  -0.007336
     2  O    0.002148  -0.024801   0.002529   0.029968
     3  O   -0.000404   0.149575   0.010498   0.002887
     4  C    0.001553  -0.045174   0.105931   0.014330
     5  C   -0.045205   0.001551   0.014315   0.105946
     6  C    0.146770   0.005347  -0.007331  -0.036801
     7  O   -0.024809   0.002148   0.029955   0.002530
     8  O    0.000819   0.049580   0.120713  -0.001058
     9  O    0.049592   0.000818  -0.001055   0.120689
    10  O    0.149568  -0.000403   0.002886   0.010499
    11  H    0.000217   0.003642   0.012183  -0.005773
    12  H    0.003643   0.000217  -0.005776   0.012176
    13  H    0.481468  -0.000113   0.000621  -0.005671
    14  H   -0.000113   0.481452  -0.005666   0.000621
    15  H    0.000621  -0.005666   0.461721   0.000217
    16  H   -0.005671   0.000621   0.000217   0.461752
 Mulliken charges:
               1
     1  C    0.759181
     2  O   -0.590485
     3  O   -0.348582
     4  C    0.354054
     5  C    0.354163
     6  C    0.759181
     7  O   -0.590492
     8  O   -0.604049
     9  O   -0.604063
    10  O   -0.348574
    11  H   -0.099689
    12  H   -0.099642
    13  H    0.234456
    14  H    0.234471
    15  H    0.295046
    16  H    0.295023
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.759181
     2  O   -0.590485
     3  O   -0.114111
     4  C    0.254365
     5  C    0.254521
     6  C    0.759181
     7  O   -0.590492
     8  O   -0.309003
     9  O   -0.309039
    10  O   -0.114118
 Electronic spatial extent (au):  <R**2>=           1291.7853
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0001    Y=             -0.0003    Z=              2.4778  Tot=              2.4778
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -59.0839   YY=            -62.3110   ZZ=            -60.4235
   XY=             -5.7061   XZ=             -0.0005   YZ=             -0.0005
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.5222   YY=             -1.7049   ZZ=              0.1826
   XY=             -5.7061   XZ=             -0.0005   YZ=             -0.0005
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0006  YYY=             -0.0035  ZZZ=              3.1698  XYY=              0.0000
  XXY=              0.0001  XXZ=             10.8160  XZZ=             -0.0003  YZZ=              0.0001
  YYZ=             -4.2022  XYZ=             14.7258
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -810.8718 YYYY=           -453.3103 ZZZZ=           -265.7505 XXXY=            -40.3312
 XXXZ=             -0.0028 YYYX=            -29.6176 YYYZ=             -0.0039 ZZZX=             -0.0005
 ZZZY=              0.0009 XXYY=           -209.8085 XXZZ=           -193.6592 YYZZ=           -137.3888
 XXYZ=              0.0017 YYXZ=             -0.0010 ZZXY=              3.1233
 N-N= 5.913805769614D+02 E-N=-2.605885166507D+03  KE= 6.014817226017D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 18:21:57 2021, MaxMem= 10737418240 cpu:               5.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.19188643D-05-1.01865537D-04 9.35564656D-01
 Polarizability= 6.82333002D+01-5.89844644D+00 7.18317221D+01
                -2.96794281D-04 1.99158540D-04 5.71173438D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0001    0.0001       -2.8983   -2.8980
 2     -0.0001   -0.0001       -0.0001   -0.0001        2.2147    2.2133
 3      2.8983    2.8980        5.2823    5.2843        0.0001    0.0001
 4      0.0001    0.0001        0.0000    0.0000        2.8982    2.8980
 5     -7.4970   -7.4976       -2.8982   -2.8980        0.0001    0.0001
 6     -0.0001   -0.0001       -0.0001   -0.0001       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0004   -0.0004       -8.6939   -8.6939
 2      0.0003    0.0003        0.0000    0.0000       -8.6939   -8.6939
 3      0.0003    0.0003       -0.0004   -0.0004       -0.0000    0.0000
 4     -0.0004   -0.0004       -0.0003   -0.0003        6.6400    6.6400
 5      8.6939    8.6939       15.8530   15.8530        0.0003    0.0003
 6    -22.4929  -22.4929       -8.6939   -8.6939        0.0004    0.0004
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0013    0.0000       -0.0009   -0.0005       11.2513   11.5918
 2     -0.0001    0.0005        0.0003    0.0004       -9.0610   -8.8533
 3    -11.2787  -11.5918      -21.0174  -21.1373        0.0024   -0.0004
 4     -0.0008   -0.0004       -0.0001    0.0000      -11.7013  -11.5918
 5     30.1410   29.9906       11.5502   11.5918        0.0002   -0.0005
 6     -0.0004    0.0004        0.0003    0.0005       -0.1474    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0008    0.0000        0.0005    0.0003       19.9035   19.9959
 2      0.0007   -0.0003       -0.0005   -0.0007       35.7066   34.9168
 3    -19.8863  -19.9959      -12.8046  -12.8814       -0.0007    0.0007
 4      0.0014    0.0007        0.0002    0.0000      -19.7987  -19.9959
 5    -21.5967  -22.0353       20.3876   19.9959        0.0002    0.0003
 6     -0.0006   -0.0007       -0.0008   -0.0003       -0.0977    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0026    0.0006       -0.0017   -0.0019      -18.1228  -18.5425
 2      0.0019    0.0009       -0.0028   -0.0031      -18.0611  -18.5425
 3      0.0036    0.0009       -0.0011   -0.0019      -36.4624  -37.0670
 4      0.0027    0.0012        0.0003   -0.0002       44.4295   44.1964
 5    -17.9103  -18.5245      -12.9721  -13.3047       -0.0024    0.0002
 6    -30.6711  -30.8918       19.2483   18.5245       -0.0011   -0.0012
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.5824   -4.8554   -2.4419    0.0002    0.0005    0.0006
 Low frequencies ---   60.1483   80.2874   98.5271
 Diagonal vibrational polarizability:
       56.9005948      18.0374059      31.6821870
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     60.1483                80.2874                98.5269
 Red. masses --      9.4010                11.0952                10.0636
 Frc consts  --      0.0200                 0.0421                 0.0576
 IR Inten    --      1.4532                 0.3799                 4.5348
 RamAct Fr= 1--      1.1817                 0.7778                 0.5141
  Dep-P Fr= 1--      0.7487                 0.7065                 0.7500
  Dep-U Fr= 1--      0.8563                 0.8280                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0000
 Beta2  Fr= 1--      0.1686                 0.1073                 0.0734
 AlphaG Fr= 1--      0.0010                 0.0009                -0.0000
 Gamma2 Fr= 1--     -0.2210                -0.0611                 0.0406
 Delta2 Fr= 1--     -0.0403                -0.0159                 0.0352
 Raman1 Fr= 1--       4.727                  3.111                  2.057
 ROA1   Fr= 1--     -22.501                 -6.376                  5.025
 CID1   Fr= 1--      -4.760                 -2.049                  2.444
 Raman2 Fr= 1--       2.024                  1.288                  0.881
 ROA2   Fr= 1--      -4.981                 -1.339                  0.692
 CID2   Fr= 1--      -2.461                 -1.040                  0.786
 Raman3 Fr= 1--       4.048                  2.576                  1.763
 ROA3   Fr= 1--     -22.501                 -6.376                  5.025
 CID3   Fr= 1--      -5.559                 -2.475                  2.851
 RC180  Fr= 1--       0.713                  0.656                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.04    -0.17  -0.07   0.05     0.04  -0.01  -0.05
     2   8    -0.19  -0.20   0.30    -0.23  -0.09   0.09     0.28   0.09  -0.22
     3   8     0.22  -0.02  -0.22    -0.32  -0.13   0.20    -0.26  -0.18   0.19
     4   6    -0.01  -0.00  -0.00     0.01   0.03  -0.11     0.00   0.05  -0.05
     5   6     0.01   0.00  -0.00    -0.01  -0.03  -0.11     0.00   0.05   0.05
     6   6     0.01   0.08   0.04     0.17   0.07   0.05     0.04  -0.01   0.05
     7   8     0.19   0.20   0.30     0.23   0.09   0.09     0.28   0.09   0.22
     8   8    -0.02  -0.01  -0.09     0.05   0.04  -0.24    -0.03   0.05  -0.14
     9   8     0.02   0.01  -0.09    -0.05  -0.04  -0.24    -0.03   0.05   0.14
    10   8    -0.22   0.02  -0.22     0.32   0.13   0.20    -0.26  -0.18  -0.19
    11   1     0.01   0.04   0.02     0.04   0.15  -0.03    -0.04   0.10  -0.05
    12   1    -0.01  -0.04   0.02    -0.04  -0.15  -0.03    -0.04   0.10   0.05
    13   1    -0.30  -0.03  -0.33     0.21   0.09   0.10    -0.33  -0.18  -0.19
    14   1     0.30   0.03  -0.33    -0.21  -0.09   0.10    -0.33  -0.18   0.19
    15   1     0.12   0.01   0.08     0.10  -0.02  -0.23     0.02   0.06  -0.07
    16   1    -0.12  -0.01   0.08    -0.10   0.02  -0.23     0.02   0.06   0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --    235.6803               258.0366               313.1501
 Red. masses --      7.0100                 7.0185                 6.1835
 Frc consts  --      0.2294                 0.2753                 0.3573
 IR Inten    --      1.1777                45.7005                27.4254
 RamAct Fr= 1--      0.6290                 0.0167                 0.9426
  Dep-P Fr= 1--      0.2303                 0.7500                 0.1214
  Dep-U Fr= 1--      0.3743                 0.8571                 0.2165
 Alpha2 Fr= 1--      0.0079                 0.0000                 0.0157
 Beta2  Fr= 1--      0.0392                 0.0024                 0.0340
 AlphaG Fr= 1--     -0.0112                -0.0000                -0.0044
 Gamma2 Fr= 1--     -0.2324                 0.1013                 0.2468
 Delta2 Fr= 1--     -0.1543                 0.0065                 0.1299
 Raman1 Fr= 1--       2.516                  0.067                  3.771
 ROA1   Fr= 1--     -27.248                  9.934                 27.851
 CID1   Fr= 1--     -10.830                148.781                  7.387
 Raman2 Fr= 1--       0.471                  0.029                  0.408
 ROA2   Fr= 1--      -4.343                  2.380                  4.884
 CID2   Fr= 1--      -9.222                 83.155                 11.964
 Raman3 Fr= 1--       0.942                  0.057                  0.816
 ROA3   Fr= 1--     -27.248                  9.934                 27.851
 CID3   Fr= 1--     -28.931                173.579                 34.112
 RC180  Fr= 1--      -0.251                  0.714                 -0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.01   0.09     0.04   0.02   0.07     0.03  -0.08   0.05
     2   8     0.23   0.04   0.06     0.19   0.03   0.13    -0.04  -0.05  -0.11
     3   8     0.09  -0.08   0.04     0.03  -0.14  -0.08     0.15   0.15   0.19
     4   6     0.02   0.11   0.08    -0.04   0.07   0.08     0.00  -0.09   0.07
     5   6    -0.02  -0.11   0.08    -0.04   0.07  -0.08    -0.00   0.09   0.07
     6   6    -0.11  -0.01   0.09     0.04   0.02  -0.07    -0.03   0.08   0.05
     7   8    -0.23  -0.04   0.06     0.19   0.03  -0.13     0.04   0.05  -0.11
     8   8     0.18   0.14  -0.22    -0.19   0.04   0.26    -0.12  -0.09  -0.18
     9   8    -0.18  -0.14  -0.22    -0.19   0.04  -0.26     0.12   0.09  -0.18
    10   8    -0.09   0.08   0.04     0.03  -0.14   0.08    -0.15  -0.15   0.19
    11   1    -0.09   0.30   0.12     0.06  -0.06   0.07    -0.00  -0.00   0.11
    12   1     0.09  -0.30   0.12     0.06  -0.06  -0.07     0.00   0.00   0.11
    13   1    -0.07   0.04  -0.03    -0.21  -0.12   0.12    -0.36  -0.07   0.37
    14   1     0.07  -0.04  -0.03    -0.21  -0.12  -0.12     0.36   0.07   0.37
    15   1     0.26  -0.08  -0.31    -0.28   0.20   0.30    -0.08  -0.10  -0.15
    16   1    -0.26   0.08  -0.31    -0.28   0.20  -0.30     0.08   0.10  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    316.8206               383.7256               436.0389
 Red. masses --      6.5230                 9.9559                 6.7727
 Frc consts  --      0.3858                 0.8637                 0.7587
 IR Inten    --     17.3903                 0.5802                31.4800
 RamAct Fr= 1--      0.0576                 2.2315                 0.9691
  Dep-P Fr= 1--      0.7500                 0.7308                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8445                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0000
 Beta2  Fr= 1--      0.0082                 0.3141                 0.1384
 AlphaG Fr= 1--      0.0000                -0.0045                -0.0000
 Gamma2 Fr= 1--     -0.0354                -0.1352                 1.1637
 Delta2 Fr= 1--     -0.0161                -0.2150                 0.4524
 Raman1 Fr= 1--       0.230                  8.926                  3.876
 ROA1   Fr= 1--      -3.913                -19.862                126.194
 CID1   Fr= 1--     -16.995                 -2.225                 32.555
 Raman2 Fr= 1--       0.099                  3.769                  1.661
 ROA2   Fr= 1--      -0.721                 -1.526                 24.310
 CID2   Fr= 1--      -7.308                 -0.405                 14.633
 Raman3 Fr= 1--       0.197                  7.538                  3.323
 ROA3   Fr= 1--      -3.913                -19.862                126.194
 CID3   Fr= 1--     -19.828                 -2.635                 37.980
 RC180  Fr= 1--       0.714                  0.689                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05  -0.08     0.05  -0.18  -0.05     0.17   0.02  -0.19
     2   8    -0.02   0.03   0.03    -0.09  -0.18  -0.18    -0.17  -0.11  -0.03
     3   8    -0.16  -0.11  -0.17     0.08  -0.09   0.06    -0.05  -0.07   0.04
     4   6    -0.05   0.01  -0.05     0.07  -0.10   0.02     0.24   0.12  -0.18
     5   6    -0.05   0.01   0.05    -0.07   0.10   0.02     0.24   0.12   0.18
     6   6    -0.06   0.05   0.08    -0.05   0.18  -0.05     0.17   0.02   0.19
     7   8    -0.02   0.03  -0.03     0.09   0.18  -0.18    -0.17  -0.11   0.03
     8   8     0.29   0.04   0.13     0.37  -0.09   0.14    -0.08   0.07   0.09
     9   8     0.29   0.04  -0.13    -0.37   0.09   0.14    -0.08   0.07  -0.09
    10   8    -0.16  -0.11   0.17    -0.08   0.09   0.06    -0.05  -0.07  -0.04
    11   1    -0.18  -0.01  -0.11     0.04  -0.12  -0.01     0.13  -0.07  -0.32
    12   1    -0.18  -0.01   0.11    -0.04   0.12  -0.01     0.13  -0.07   0.32
    13   1    -0.30  -0.04   0.33    -0.15   0.10   0.07     0.03  -0.03   0.06
    14   1    -0.30  -0.04  -0.33     0.15  -0.10   0.07     0.03  -0.03  -0.06
    15   1     0.24  -0.06  -0.01     0.33  -0.16   0.01    -0.16   0.28   0.17
    16   1     0.24  -0.06   0.01    -0.33   0.16   0.01    -0.16   0.28  -0.17
                     10                     11                     12
                      A                      A                      A
 Frequencies --    523.9481               540.3329               588.7258
 Red. masses --      4.9972                 7.8581                 6.2214
 Frc consts  --      0.8083                 1.3517                 1.2705
 IR Inten    --      9.0176                 1.6826                 0.3915
 RamAct Fr= 1--      3.7882                 2.2528                 4.8729
  Dep-P Fr= 1--      0.0856                 0.7500                 0.3058
  Dep-U Fr= 1--      0.1577                 0.8571                 0.4684
 Alpha2 Fr= 1--      0.0687                 0.0000                 0.0491
 Beta2  Fr= 1--      0.0996                 0.3218                 0.3804
 AlphaG Fr= 1--     -0.0304                -0.0000                 0.0680
 Gamma2 Fr= 1--      0.6413                -1.0222                -0.2471
 Delta2 Fr= 1--      0.3223                 0.1215                -0.8449
 Raman1 Fr= 1--      15.153                  9.011                 19.492
 ROA1   Fr= 1--      71.882                -94.247                -50.760
 CID1   Fr= 1--       4.744                -10.459                 -2.604
 Raman2 Fr= 1--       1.195                  3.862                  4.565
 ROA2   Fr= 1--      12.813                -25.506                  0.829
 CID2   Fr= 1--      10.724                 -6.604                  0.182
 Raman3 Fr= 1--       2.390                  7.724                  9.129
 ROA3   Fr= 1--      71.882                -94.247                -50.760
 CID3   Fr= 1--      30.081                -12.202                 -5.560
 RC180  Fr= 1--      -0.685                  0.714                 -0.063
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.05   0.14    -0.08  -0.18   0.13    -0.12   0.05   0.07
     2   8    -0.09   0.05  -0.15    -0.10  -0.08  -0.26     0.08   0.11   0.09
     3   8     0.01  -0.07  -0.12     0.12  -0.10  -0.01    -0.07   0.05  -0.08
     4   6    -0.07   0.02   0.25    -0.03   0.13   0.16    -0.02  -0.16   0.04
     5   6     0.07  -0.02   0.25    -0.03   0.13  -0.16     0.02   0.16   0.04
     6   6     0.12   0.05   0.14    -0.08  -0.18  -0.13     0.12  -0.05   0.07
     7   8     0.09  -0.05  -0.15    -0.10  -0.08   0.26    -0.08  -0.11   0.09
     8   8    -0.03   0.05  -0.02     0.05   0.21   0.07     0.11  -0.28  -0.08
     9   8     0.03  -0.05  -0.02     0.05   0.21  -0.07    -0.11   0.28  -0.08
    10   8    -0.01   0.07  -0.12     0.12  -0.10   0.01     0.07  -0.05  -0.08
    11   1    -0.06   0.20   0.33     0.18   0.28   0.33     0.15  -0.25   0.08
    12   1     0.06  -0.20   0.33     0.18   0.28  -0.33    -0.15   0.25   0.08
    13   1     0.28   0.08  -0.12    -0.00  -0.12  -0.02     0.12  -0.05  -0.07
    14   1    -0.28  -0.08  -0.12    -0.00  -0.12   0.02    -0.12   0.05  -0.07
    15   1    -0.12  -0.10  -0.25     0.09   0.06  -0.01     0.16  -0.40  -0.12
    16   1     0.12   0.10  -0.25     0.09   0.06   0.01    -0.16   0.40  -0.12
                     13                     14                     15
                      A                      A                      A
 Frequencies --    616.0253               674.3790               684.6102
 Red. masses --      3.7552                 1.1527                 1.1051
 Frc consts  --      0.8396                 0.3089                 0.3052
 IR Inten    --      4.0828                 4.1135               182.2890
 RamAct Fr= 1--      1.2387                 0.7151                 0.2631
  Dep-P Fr= 1--      0.7500                 0.6348                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7766                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0015                 0.0000
 Beta2  Fr= 1--      0.1770                 0.0926                 0.0376
 AlphaG Fr= 1--      0.0000                 0.0267                 0.0000
 Gamma2 Fr= 1--      1.2793                -0.4940                -0.0112
 Delta2 Fr= 1--      0.4665                -0.0185                 0.1736
 Raman1 Fr= 1--       4.955                  2.860                  1.052
 ROA1   Fr= 1--     137.743                -48.016                  4.485
 CID1   Fr= 1--      27.801                -16.786                  4.262
 Raman2 Fr= 1--       2.123                  1.111                  0.451
 ROA2   Fr= 1--      26.972                -11.708                 -1.657
 CID2   Fr= 1--      12.702                -10.540                 -3.674
 Raman3 Fr= 1--       4.247                  2.222                  0.902
 ROA3   Fr= 1--     137.743                -48.016                  4.485
 CID3   Fr= 1--      32.434                -21.614                  4.972
 RC180  Fr= 1--       0.714                  0.553                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.07   0.10     0.00   0.01  -0.00    -0.01   0.01   0.02
     2   8    -0.07   0.12  -0.04    -0.00   0.01  -0.03    -0.01   0.02  -0.00
     3   8    -0.02  -0.07  -0.10    -0.03  -0.03   0.01    -0.02  -0.02   0.00
     4   6     0.19  -0.01   0.08    -0.01  -0.01   0.04     0.01  -0.01   0.02
     5   6     0.19  -0.01  -0.08     0.01   0.01   0.04     0.01  -0.01  -0.02
     6   6    -0.01   0.07  -0.10    -0.00  -0.01  -0.00    -0.01   0.01  -0.02
     7   8    -0.07   0.12   0.04     0.00  -0.01  -0.03    -0.01   0.02   0.00
     8   8    -0.03  -0.10  -0.06    -0.02  -0.00  -0.02    -0.01  -0.01  -0.03
     9   8    -0.03  -0.10   0.06     0.02   0.00  -0.02    -0.01  -0.01   0.03
    10   8    -0.02  -0.07   0.10     0.03   0.03   0.01    -0.02  -0.02  -0.00
    11   1     0.37  -0.01   0.17    -0.05  -0.01   0.02     0.05  -0.03   0.02
    12   1     0.37  -0.01  -0.17     0.04   0.01   0.02     0.05  -0.03  -0.02
    13   1    -0.37  -0.06   0.13    -0.32  -0.13  -0.33     0.30   0.13   0.33
    14   1    -0.37  -0.06  -0.13     0.31   0.13  -0.33     0.31   0.14  -0.34
    15   1    -0.18  -0.03  -0.19     0.29   0.04   0.42     0.29   0.07   0.43
    16   1    -0.18  -0.03   0.19    -0.30  -0.04   0.42     0.28   0.07  -0.43
                     16                     17                     18
                      A                      A                      A
 Frequencies --    731.6679               806.7160               816.6370
 Red. masses --      6.9600                 6.1376                 5.2323
 Frc consts  --      2.1953                 2.3534                 2.0559
 IR Inten    --      0.2850                 5.7443                 1.0486
 RamAct Fr= 1--      3.3726                 1.7149                 7.0995
  Dep-P Fr= 1--      0.0412                 0.7500                 0.0363
  Dep-U Fr= 1--      0.0791                 0.8571                 0.0701
 Alpha2 Fr= 1--      0.0680                 0.0000                 0.1449
 Beta2  Fr= 1--      0.0445                 0.2450                 0.0830
 AlphaG Fr= 1--      0.0059                 0.0000                 0.0973
 Gamma2 Fr= 1--      0.8246                -0.9863                 0.1930
 Delta2 Fr= 1--     -0.0944                -0.6185                -0.0593
 Raman1 Fr= 1--      13.491                  6.859                 28.398
 ROA1   Fr= 1--      76.144               -114.474                 16.634
 CID1   Fr= 1--       5.644                -16.688                  0.586
 Raman2 Fr= 1--       0.534                  2.940                  0.996
 ROA2   Fr= 1--      20.547                -18.723                  5.107
 CID2   Fr= 1--      38.493                 -6.369                  5.128
 Raman3 Fr= 1--       1.068                  5.880                  1.992
 ROA3   Fr= 1--      76.144               -114.474                 16.634
 CID3   Fr= 1--      71.326                -19.470                  8.350
 RC180  Fr= 1--      -0.842                  0.714                 -0.860
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.32   0.20  -0.07     0.22   0.14   0.04    -0.08   0.00   0.24
     2   8    -0.18   0.11   0.02    -0.14   0.12  -0.01    -0.03   0.13  -0.06
     3   8     0.04  -0.15   0.04     0.13  -0.17   0.11     0.14  -0.11   0.04
     4   6     0.07  -0.01   0.08    -0.19  -0.03   0.00     0.09   0.02  -0.23
     5   6    -0.07   0.01   0.08    -0.19  -0.03  -0.00    -0.09  -0.02  -0.23
     6   6    -0.32  -0.20  -0.07     0.22   0.14  -0.04     0.08  -0.00   0.24
     7   8     0.18  -0.11   0.02    -0.14   0.12   0.01     0.03  -0.13  -0.06
     8   8    -0.01  -0.11  -0.05     0.02  -0.02  -0.01    -0.01  -0.02   0.02
     9   8     0.01   0.11  -0.05     0.02  -0.02   0.01     0.01   0.02   0.02
    10   8    -0.04   0.15   0.04     0.13  -0.17  -0.11    -0.14   0.11   0.04
    11   1    -0.20  -0.12  -0.10    -0.43  -0.07  -0.12     0.47  -0.04  -0.07
    12   1     0.20   0.12  -0.10    -0.43  -0.07   0.12    -0.47   0.04  -0.07
    13   1     0.37   0.09  -0.12    -0.17  -0.06   0.15     0.01  -0.01  -0.22
    14   1    -0.37  -0.09  -0.12    -0.17  -0.06  -0.15    -0.01   0.01  -0.22
    15   1    -0.11  -0.08  -0.15     0.08  -0.17  -0.06    -0.05   0.18   0.13
    16   1     0.11   0.08  -0.15     0.08  -0.17   0.06     0.05  -0.18   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    825.3659               832.5993               951.4980
 Red. masses --      1.0668                 1.0520                 5.9019
 Frc consts  --      0.4282                 0.4297                 3.1482
 IR Inten    --      5.9392               145.2044                44.2832
 RamAct Fr= 1--      0.5225                 0.0676                 0.1992
  Dep-P Fr= 1--      0.7500                 0.2112                 0.7500
  Dep-U Fr= 1--      0.8571                 0.3488                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0009                 0.0000
 Beta2  Fr= 1--      0.0746                 0.0039                 0.0285
 AlphaG Fr= 1--     -0.0000                -0.0119                -0.0000
 Gamma2 Fr= 1--      0.2183                 0.1617                 0.3047
 Delta2 Fr= 1--     -0.0438                 0.0421                 0.0176
 Raman1 Fr= 1--       2.090                  0.270                  0.797
 ROA1   Fr= 1--      19.560                 16.869                 29.816
 CID1   Fr= 1--       9.359                 62.429                 37.423
 Raman2 Fr= 1--       0.896                  0.047                  0.341
 ROA2   Fr= 1--       5.590                  3.544                  7.173
 CID2   Fr= 1--       6.241                 75.211                 21.006
 Raman3 Fr= 1--       1.791                  0.094                  0.683
 ROA3   Fr= 1--      19.560                 16.869                 29.816
 CID3   Fr= 1--      10.919                178.984                 43.660
 RC180  Fr= 1--       0.714                 -0.302                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.19  -0.05   0.21
     2   8     0.01   0.01  -0.01    -0.00  -0.00  -0.00     0.01   0.08  -0.03
     3   8    -0.02  -0.01   0.02     0.02   0.01  -0.02     0.10  -0.04   0.02
     4   6     0.00   0.00   0.01     0.00   0.00   0.00     0.04   0.00  -0.33
     5   6     0.00   0.00  -0.01    -0.00  -0.00   0.00     0.04   0.00   0.33
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.19  -0.05  -0.21
     7   8     0.01   0.01   0.01     0.00   0.00  -0.00     0.01   0.08   0.03
     8   8     0.00  -0.00   0.03    -0.00   0.00  -0.03     0.01  -0.02   0.03
     9   8     0.00  -0.00  -0.03     0.00  -0.00  -0.03     0.01  -0.02  -0.03
    10   8    -0.02  -0.01  -0.02    -0.02  -0.01  -0.02     0.10  -0.04  -0.02
    11   1    -0.00   0.02   0.01     0.02   0.00   0.01    -0.18   0.06  -0.40
    12   1    -0.00   0.02  -0.01    -0.02  -0.00   0.01    -0.18   0.06   0.40
    13   1     0.37   0.16   0.34     0.36   0.16   0.33    -0.01  -0.00   0.07
    14   1     0.36   0.15  -0.34    -0.36  -0.16   0.34    -0.01  -0.00  -0.07
    15   1    -0.27  -0.08  -0.38     0.27   0.07   0.39    -0.16   0.24   0.04
    16   1    -0.27  -0.08   0.39    -0.27  -0.07   0.39    -0.16   0.24  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1061.4013              1099.3324              1116.3428
 Red. masses --      3.2926                 7.1915                 2.6612
 Frc consts  --      2.1855                 5.1207                 1.9540
 IR Inten    --     15.4596               148.7553                 1.3768
 RamAct Fr= 1--      1.9176                 0.0682                 3.4362
  Dep-P Fr= 1--      0.6618                 0.7500                 0.4920
  Dep-U Fr= 1--      0.7965                 0.8571                 0.6595
 Alpha2 Fr= 1--      0.0030                 0.0000                 0.0176
 Beta2  Fr= 1--      0.2546                 0.0097                 0.3777
 AlphaG Fr= 1--      0.0149                 0.0000                -0.0044
 Gamma2 Fr= 1--     -0.0937                 0.0626                 0.1068
 Delta2 Fr= 1--      0.2474                 0.0799                 0.8372
 Raman1 Fr= 1--       7.671                  0.273                 13.745
 ROA1   Fr= 1--      -1.077                  8.570                 37.048
 CID1   Fr= 1--      -0.140                 31.401                  2.695
 Raman2 Fr= 1--       3.055                  0.117                  4.532
 ROA2   Fr= 1--      -4.228                  0.864                 -4.133
 CID2   Fr= 1--      -1.384                  7.388                 -0.912
 Raman3 Fr= 1--       6.110                  0.234                  9.065
 ROA3   Fr= 1--      -1.077                  8.570                 37.048
 CID3   Fr= 1--      -0.176                 36.634                  4.087
 RC180  Fr= 1--       0.593                  0.714                  0.319
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.02     0.03  -0.03   0.01    -0.02  -0.02   0.03
     2   8     0.02  -0.05  -0.01     0.01  -0.05  -0.02     0.00  -0.01  -0.01
     3   8    -0.07   0.06  -0.05    -0.00   0.04   0.01     0.02   0.01   0.02
     4   6     0.25   0.10   0.06    -0.10   0.39   0.01    -0.09   0.19  -0.04
     5   6    -0.25  -0.10   0.06    -0.10   0.39  -0.01     0.09  -0.19  -0.04
     6   6    -0.05   0.03   0.02     0.03  -0.03  -0.01     0.02   0.02   0.03
     7   8    -0.02   0.05  -0.01     0.01  -0.05   0.02    -0.00   0.01  -0.01
     8   8    -0.01  -0.07  -0.02     0.05  -0.28   0.00     0.02  -0.14   0.01
     9   8     0.01   0.07  -0.02     0.06  -0.29  -0.00    -0.02   0.13   0.01
    10   8     0.07  -0.06  -0.05    -0.00   0.04  -0.01    -0.02  -0.01   0.02
    11   1     0.36   0.27   0.20    -0.04   0.44   0.07    -0.51   0.36  -0.15
    12   1    -0.36  -0.27   0.20    -0.04   0.44  -0.07     0.51  -0.36  -0.15
    13   1     0.02  -0.06  -0.06    -0.07   0.07   0.10     0.02  -0.02  -0.02
    14   1    -0.02   0.06  -0.06    -0.07   0.07  -0.10    -0.02   0.02  -0.02
    15   1    -0.20   0.32   0.08    -0.05   0.07   0.17    -0.07   0.09   0.09
    16   1     0.20  -0.32   0.08    -0.05   0.07  -0.17     0.07  -0.09   0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1229.7973              1234.4758              1263.7074
 Red. masses --      2.1232                 1.9832                 1.5577
 Frc consts  --      1.8919                 1.7807                 1.4656
 IR Inten    --     16.9145                 0.5649                 0.0004
 RamAct Fr= 1--      0.7775                15.7099                 2.3435
  Dep-P Fr= 1--      0.7500                 0.2054                 0.7124
  Dep-U Fr= 1--      0.8571                 0.3407                 0.8321
 Alpha2 Fr= 1--      0.0000                 0.2103                 0.0015
 Beta2  Fr= 1--      0.1111                 0.8922                 0.3250
 AlphaG Fr= 1--     -0.0000                -0.0292                 0.0109
 Gamma2 Fr= 1--     -0.9828                 4.7432                -0.2698
 Delta2 Fr= 1--     -1.5649                 2.7000                -1.5925
 Raman1 Fr= 1--       3.110                 62.840                  9.374
 ROA1   Fr= 1--    -144.425                541.743                -76.860
 CID1   Fr= 1--     -46.437                  8.621                 -8.199
 Raman2 Fr= 1--       1.333                 10.706                  3.900
 ROA2   Fr= 1--     -11.067                 92.236                  6.266
 CID2   Fr= 1--      -8.303                  8.615                  1.607
 Raman3 Fr= 1--       2.666                 21.412                  7.800
 ROA3   Fr= 1--    -144.425                541.743                -76.860
 CID3   Fr= 1--     -54.177                 25.301                 -9.854
 RC180  Fr= 1--       0.714                 -0.319                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.03  -0.13     0.11  -0.02   0.09    -0.01  -0.03   0.06
     2   8    -0.01   0.07   0.03     0.01  -0.07  -0.02     0.01   0.01  -0.00
     3   8     0.04  -0.08   0.01    -0.03   0.07   0.01    -0.01   0.02  -0.02
     4   6     0.00   0.02   0.02    -0.07   0.01  -0.03     0.10  -0.09  -0.00
     5   6     0.00   0.02  -0.02     0.07  -0.01  -0.03    -0.10   0.09  -0.00
     6   6    -0.11   0.03   0.13    -0.11   0.02   0.09     0.01   0.03   0.06
     7   8    -0.01   0.07  -0.03    -0.01   0.07  -0.02    -0.01  -0.01  -0.00
     8   8     0.02  -0.02  -0.00    -0.00   0.01  -0.00     0.00   0.03  -0.01
     9   8     0.02  -0.02   0.00     0.00  -0.01  -0.00    -0.00  -0.03  -0.01
    10   8     0.04  -0.08  -0.01     0.03  -0.07   0.01     0.01  -0.02  -0.02
    11   1     0.09   0.13   0.11     0.14  -0.15  -0.00    -0.58  -0.04  -0.29
    12   1     0.09   0.13  -0.11    -0.14   0.15  -0.00     0.58   0.04  -0.29
    13   1     0.44  -0.23  -0.38     0.44  -0.23  -0.39     0.11  -0.04  -0.07
    14   1     0.44  -0.23   0.38    -0.44   0.23  -0.39    -0.11   0.04  -0.07
    15   1    -0.07   0.13   0.02     0.07  -0.09   0.00    -0.07   0.15   0.03
    16   1    -0.07   0.13  -0.02    -0.07   0.09   0.00     0.07  -0.15   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1276.7484              1331.8815              1350.0539
 Red. masses --      1.1639                 1.4539                 1.3906
 Frc consts  --      1.1178                 1.5196                 1.4933
 IR Inten    --     35.6060                 0.0000               272.4235
 RamAct Fr= 1--      1.9295                 3.6414                 0.1202
  Dep-P Fr= 1--      0.7500                 0.7455                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8542                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0000
 Beta2  Fr= 1--      0.2756                 0.5184                 0.0172
 AlphaG Fr= 1--     -0.0000                 0.0031                -0.0000
 Gamma2 Fr= 1--      1.3643                 0.2556                -0.3155
 Delta2 Fr= 1--      0.8508                 0.7629                -0.0457
 Raman1 Fr= 1--       7.718                 14.566                  0.481
 ROA1   Fr= 1--     158.202                 48.954                -31.749
 CID1   Fr= 1--      20.498                  3.361                -66.056
 Raman2 Fr= 1--       3.308                  6.221                  0.206
 ROA2   Fr= 1--      25.938                  0.031                 -7.206
 CID2   Fr= 1--       7.842                  0.005                -34.984
 Raman3 Fr= 1--       6.615                 12.442                  0.412
 ROA3   Fr= 1--     158.202                 48.954                -31.749
 CID3   Fr= 1--      23.914                  3.934                -77.065
 RC180  Fr= 1--       0.714                  0.708                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.01     0.03  -0.00  -0.01    -0.03   0.02  -0.06
     2   8    -0.00  -0.01  -0.00    -0.00   0.01   0.01     0.01  -0.01   0.01
     3   8    -0.01   0.01  -0.01    -0.00   0.00   0.00     0.04  -0.00   0.04
     4   6     0.03  -0.07   0.02    -0.06  -0.12  -0.04    -0.05  -0.04  -0.05
     5   6     0.03  -0.07  -0.02     0.06   0.12  -0.04    -0.05  -0.04   0.05
     6   6     0.02   0.01  -0.01    -0.03   0.00  -0.01    -0.03   0.02   0.06
     7   8    -0.00  -0.01   0.00     0.00  -0.01   0.01     0.01  -0.01  -0.01
     8   8     0.01  -0.01   0.00     0.02  -0.00   0.00     0.01   0.00   0.00
     9   8     0.01  -0.01  -0.00    -0.02   0.00   0.00     0.01   0.00  -0.00
    10   8    -0.01   0.01   0.01     0.00  -0.00   0.00     0.04  -0.00  -0.04
    11   1    -0.33   0.51   0.12     0.00   0.55   0.29     0.45   0.18   0.28
    12   1    -0.33   0.51  -0.12    -0.00  -0.55   0.29     0.45   0.18  -0.28
    13   1    -0.03   0.02   0.02     0.06  -0.03  -0.06    -0.28   0.13   0.25
    14   1    -0.03   0.02  -0.02    -0.06   0.03  -0.06    -0.28   0.13  -0.25
    15   1    -0.14   0.29   0.08    -0.13   0.26   0.07    -0.04   0.08   0.02
    16   1    -0.14   0.29  -0.08     0.13  -0.26   0.07    -0.04   0.08  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1395.0249              1400.8768              1464.7035
 Red. masses --      1.9049                 2.2973                 1.2431
 Frc consts  --      2.1841                 2.6562                 1.5713
 IR Inten    --    575.6193               231.6057                63.2067
 RamAct Fr= 1--      0.2456                 1.2400                 4.1229
  Dep-P Fr= 1--      0.7500                 0.6390                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7798                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0025                 0.0000
 Beta2  Fr= 1--      0.0351                 0.1612                 0.5890
 AlphaG Fr= 1--      0.0000                 0.0109                -0.0000
 Gamma2 Fr= 1--      0.1651                -1.4646                -2.8786
 Delta2 Fr= 1--      0.0019                -0.2025                -1.0443
 Raman1 Fr= 1--       0.982                  4.960                 16.492
 ROA1   Fr= 1--      15.915               -147.078               -309.764
 CID1   Fr= 1--      16.202                -29.653                -18.783
 Raman2 Fr= 1--       0.421                  1.934                  7.068
 ROA2   Fr= 1--       3.948                -33.530                -60.732
 CID2   Fr= 1--       9.378                -17.338                 -8.593
 Raman3 Fr= 1--       0.842                  3.868                 14.135
 ROA3   Fr= 1--      15.915               -147.078               -309.764
 CID3   Fr= 1--      18.902                -38.027                -21.914
 RC180  Fr= 1--       0.714                  0.560                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.07    -0.13   0.04  -0.12     0.04   0.00   0.04
     2   8    -0.02   0.03  -0.00     0.02  -0.03   0.01    -0.01  -0.01  -0.01
     3   8    -0.06   0.01  -0.05     0.08  -0.01   0.08    -0.02   0.01  -0.02
     4   6    -0.05  -0.02  -0.09     0.07   0.00   0.03    -0.06  -0.01   0.01
     5   6    -0.05  -0.02   0.09    -0.07  -0.00   0.03    -0.06  -0.01  -0.01
     6   6     0.11  -0.02  -0.07     0.13  -0.04  -0.12     0.04   0.00  -0.03
     7   8    -0.02   0.03   0.00    -0.02   0.03   0.01    -0.01  -0.01   0.01
     8   8    -0.01   0.00   0.02    -0.02  -0.00   0.01     0.04  -0.00  -0.03
     9   8    -0.01   0.00  -0.02     0.02   0.00   0.00     0.04  -0.00   0.03
    10   8    -0.06   0.01   0.05    -0.08   0.01   0.08    -0.02   0.01   0.02
    11   1     0.33   0.28   0.22    -0.02   0.13   0.04     0.16  -0.30  -0.01
    12   1     0.33   0.28  -0.22     0.02  -0.13   0.04     0.17  -0.31   0.01
    13   1     0.30  -0.13  -0.27     0.45  -0.20  -0.40     0.08  -0.03  -0.06
    14   1     0.30  -0.13   0.27    -0.45   0.20  -0.40     0.08  -0.03   0.06
    15   1     0.11  -0.20  -0.01     0.05  -0.14  -0.03    -0.26   0.53   0.05
    16   1     0.11  -0.20   0.01    -0.05   0.14  -0.03    -0.27   0.54  -0.05
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1467.7897              1796.1372              1806.3201
 Red. masses --      1.2471                 8.9196                 8.8299
 Frc consts  --      1.5830                16.9542                16.9744
 IR Inten    --      0.1891                29.7083               422.7918
 RamAct Fr= 1--      3.1439                23.5963                 1.8912
  Dep-P Fr= 1--      0.5033                 0.1051                 0.7500
  Dep-U Fr= 1--      0.6696                 0.1901                 0.8571
 Alpha2 Fr= 1--      0.0153                 0.4080                 0.0000
 Beta2  Fr= 1--      0.3509                 0.7477                 0.2702
 AlphaG Fr= 1--     -0.0119                -0.3054                -0.0000
 Gamma2 Fr= 1--     -0.7866                -3.9019                 2.3800
 Delta2 Fr= 1--      0.5239                -2.5751                 2.8388
 Raman1 Fr= 1--      12.576                 94.385                  7.565
 ROA1   Fr= 1--     -58.749               -456.982                319.324
 CID1   Fr= 1--      -4.672                 -4.842                 42.212
 Raman2 Fr= 1--       4.210                  8.973                  3.242
 ROA2   Fr= 1--     -23.069                -73.045                 34.410
 CID2   Fr= 1--      -5.479                 -8.141                 10.614
 Raman3 Fr= 1--       8.421                 17.946                  6.484
 ROA3   Fr= 1--     -58.749               -456.982                319.324
 CID3   Fr= 1--      -6.977                -25.464                 49.248
 RC180  Fr= 1--       0.339                 -0.620                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.03     0.09  -0.46  -0.14    -0.10   0.46   0.13
     2   8     0.01   0.01   0.01    -0.05   0.27   0.09     0.05  -0.27  -0.09
     3   8     0.02  -0.00   0.02     0.00   0.04   0.02     0.00  -0.05  -0.02
     4   6    -0.05   0.01   0.04     0.00   0.05   0.01    -0.00  -0.00  -0.03
     5   6     0.05  -0.01   0.04    -0.00  -0.05   0.01    -0.00  -0.00   0.03
     6   6     0.03   0.00  -0.03    -0.09   0.46  -0.14    -0.10   0.46  -0.13
     7   8    -0.01  -0.01   0.01     0.05  -0.27   0.09     0.05  -0.27   0.09
     8   8     0.04  -0.01  -0.03    -0.00   0.01   0.00    -0.00  -0.01   0.00
     9   8    -0.04   0.01  -0.03     0.00  -0.01   0.00    -0.00  -0.01  -0.00
    10   8    -0.02   0.00   0.02    -0.00  -0.04   0.02     0.00  -0.05   0.02
    11   1     0.08  -0.34  -0.05     0.06  -0.05  -0.02     0.07   0.04   0.02
    12   1    -0.08   0.34  -0.05    -0.06   0.05  -0.02     0.07   0.04  -0.02
    13   1     0.06  -0.03  -0.06     0.24  -0.09  -0.24     0.27  -0.10  -0.23
    14   1    -0.06   0.02  -0.06    -0.24   0.09  -0.24     0.27  -0.10   0.23
    15   1    -0.26   0.54   0.07     0.05  -0.21   0.01     0.03  -0.18  -0.02
    16   1     0.26  -0.53   0.06    -0.05   0.21   0.01     0.03  -0.18   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3048.6905              3056.0142              3493.6054
 Red. masses --      1.0833                 1.0845                 1.0667
 Frc consts  --      5.9325                 5.9677                 7.6709
 IR Inten    --     17.9182                 2.3303                95.0628
 RamAct Fr= 1--     40.3970               149.6009                96.7370
  Dep-P Fr= 1--      0.7500                 0.0958                 0.0401
  Dep-U Fr= 1--      0.8571                 0.1749                 0.0771
 Alpha2 Fr= 1--      0.0000                 2.6463                 1.9564
 Beta2  Fr= 1--      5.7710                 4.3597                 1.2426
 AlphaG Fr= 1--     -0.0000                -0.3017                 1.0095
 Gamma2 Fr= 1--      3.7117                -8.2605                37.8487
 Delta2 Fr= 1--      5.9471                -5.7151                10.1126
 Raman1 Fr= 1--     161.588                598.404                386.948
 ROA1   Fr= 1--     546.629               -975.890               3957.076
 CID1   Fr= 1--       3.383                 -1.631                 10.226
 Raman2 Fr= 1--      69.252                 52.317                 14.912
 ROA2   Fr= 1--      41.503               -152.531                827.468
 CID2   Fr= 1--       0.599                 -2.916                 55.491
 Raman3 Fr= 1--     138.504                104.633                 29.824
 ROA3   Fr= 1--     546.629               -975.890               3957.076
 CID3   Fr= 1--       3.947                 -9.327                132.683
 RC180  Fr= 1--       0.714                 -0.650                 -0.846
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
     2   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
     4   6     0.02   0.02  -0.05     0.02   0.02  -0.05    -0.00  -0.00   0.00
     5   6     0.02   0.02   0.05    -0.02  -0.02  -0.05     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03  -0.02   0.02
     9   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03   0.02   0.02
    10   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    11   1    -0.27  -0.27   0.59    -0.27  -0.27   0.59     0.01   0.01  -0.01
    12   1    -0.27  -0.27  -0.59     0.27   0.27   0.59    -0.01  -0.01  -0.01
    13   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.13   0.05
    14   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.13   0.05
    15   1     0.02   0.00  -0.01     0.01   0.00  -0.02     0.48   0.34  -0.37
    16   1     0.02   0.00   0.01    -0.01  -0.01  -0.02    -0.47  -0.33  -0.37
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3503.5680              3578.6925              3580.9456
 Red. masses --      1.0673                 1.0641                 1.0642
 Frc consts  --      7.7190                 8.0292                 8.0404
 IR Inten    --    494.0138               228.0157                86.2749
 RamAct Fr= 1--     12.4644                 7.2686                50.4714
  Dep-P Fr= 1--      0.7495                 0.7498                 0.0901
  Dep-U Fr= 1--      0.8568                 0.8570                 0.1653
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.9053
 Beta2  Fr= 1--      1.7799                 1.0382                 1.3904
 AlphaG Fr= 1--      0.0001                 0.0000                 0.0813
 Gamma2 Fr= 1--    -29.0651                 4.9664                -1.5208
 Delta2 Fr= 1--     -6.1179                 2.5066                -4.7150
 Raman1 Fr= 1--      49.857                 29.074                201.886
 ROA1   Fr= 1--   -2986.018                556.990               -296.877
 CID1   Fr= 1--     -59.891                 19.157                 -1.471
 Raman2 Fr= 1--      21.359                 12.459                 16.685
 ROA2   Fr= 1--    -648.618                 99.141                  1.221
 CID2   Fr= 1--     -30.367                  7.958                  0.073
 Raman3 Fr= 1--      42.718                 24.918                 33.370
 ROA3   Fr= 1--   -2986.018                556.990               -296.877
 CID3   Fr= 1--     -69.900                 22.353                 -8.896
 RC180  Fr= 1--       0.714                  0.714                 -0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   8     0.00  -0.00  -0.00    -0.00  -0.04  -0.02     0.00   0.04   0.02
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   8    -0.03  -0.02   0.02     0.00   0.00  -0.00    -0.01  -0.00   0.00
     9   8    -0.03  -0.02  -0.02     0.00   0.00   0.00     0.01   0.00   0.00
    10   8     0.00  -0.00   0.00    -0.00  -0.04   0.02    -0.00  -0.04   0.02
    11   1     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1     0.01   0.01   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00   0.05  -0.02    -0.01   0.64  -0.28    -0.01   0.64  -0.28
    14   1    -0.00   0.05   0.02    -0.01   0.65   0.28     0.01  -0.63  -0.28
    15   1     0.49   0.33  -0.37    -0.04  -0.03   0.03     0.10   0.07  -0.08
    16   1     0.49   0.34   0.38    -0.04  -0.02  -0.03    -0.10  -0.07  -0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   987.111891545.354791868.90457
           X            0.99932  -0.03687  -0.00000
           Y            0.03687   0.99932  -0.00000
           Z            0.00000   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.08774     0.05605     0.04634
 Rotational constants (GHZ):           1.82830     1.16785     0.96567
 Zero-point vibrational energy     307027.7 (Joules/Mol)
                                   73.38139 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     86.54   115.52   141.76   339.09   371.26
          (Kelvin)            450.55   455.83   552.10   627.36   753.84
                              777.42   847.05   886.32   970.28   985.00
                             1052.71  1160.68  1174.96  1187.52  1197.92
                             1368.99  1527.12  1581.69  1606.17  1769.40
                             1776.14  1818.19  1836.96  1916.28  1942.43
                             2007.13  2015.55  2107.38  2111.82  2584.24
                             2598.89  4386.39  4396.92  5026.52  5040.85
                             5148.94  5152.18
 
 Zero-point correction=                           0.116941 (Hartree/Particle)
 Thermal correction to Energy=                    0.126064
 Thermal correction to Enthalpy=                  0.127008
 Thermal correction to Gibbs Free Energy=         0.082088
 Sum of electronic and zero-point Energies=           -607.578178
 Sum of electronic and thermal Energies=              -607.569055
 Sum of electronic and thermal Enthalpies=            -607.568111
 Sum of electronic and thermal Free Energies=         -607.613031
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   79.106             33.643             94.542
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.435
 Vibrational             77.329             27.681             24.180
 Vibration     1          0.597              1.973              4.452
 Vibration     2          0.600              1.963              3.884
 Vibration     3          0.604              1.950              3.483
 Vibration     4          0.655              1.786              1.835
 Vibration     5          0.667              1.749              1.675
 Vibration     6          0.701              1.649              1.346
 Vibration     7          0.704              1.641              1.326
 Vibration     8          0.753              1.505              1.024
 Vibration     9          0.796              1.392              0.839
 Vibration    10          0.879              1.197              0.601
 Vibration    11          0.895              1.161              0.565
 Vibration    12          0.946              1.056              0.469
 Vibration    13          0.976              0.998              0.423
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.174628D-37        -37.757887        -86.940748
 Total V=0       0.107411D+17         16.031048         36.912853
 Vib (Bot)       0.400050D-51        -51.397886       -118.348005
 Vib (Bot)    1  0.343317D+01          0.535695          1.233483
 Vib (Bot)    2  0.256496D+01          0.409081          0.941944
 Vib (Bot)    3  0.208355D+01          0.318804          0.734072
 Vib (Bot)    4  0.833602D+00         -0.079041         -0.181999
 Vib (Bot)    5  0.753453D+00         -0.122944         -0.283089
 Vib (Bot)    6  0.602732D+00         -0.219875         -0.506282
 Vib (Bot)    7  0.594463D+00         -0.225875         -0.520097
 Vib (Bot)    8  0.469953D+00         -0.327946         -0.755123
 Vib (Bot)    9  0.397704D+00         -0.400440         -0.922046
 Vib (Bot)   10  0.306955D+00         -0.512925         -1.181054
 Vib (Bot)   11  0.293124D+00         -0.532948         -1.227158
 Vib (Bot)   12  0.256568D+00         -0.590798         -1.360362
 Vib (Bot)   13  0.238389D+00         -0.622714         -1.433853
 Vib (V=0)       0.246065D+03          2.391050          5.505596
 Vib (V=0)    1  0.396938D+01          0.598723          1.378611
 Vib (V=0)    2  0.311324D+01          0.493213          1.135665
 Vib (V=0)    3  0.264270D+01          0.422048          0.971802
 Vib (V=0)    4  0.147206D+01          0.167924          0.386660
 Vib (V=0)    5  0.140426D+01          0.147448          0.339512
 Vib (V=0)    6  0.128313D+01          0.108269          0.249299
 Vib (V=0)    7  0.127678D+01          0.106116          0.244341
 Vib (V=0)    8  0.118619D+01          0.074154          0.170746
 Vib (V=0)    9  0.113888D+01          0.056478          0.130046
 Vib (V=0)   10  0.108670D+01          0.036111          0.083149
 Vib (V=0)   11  0.107959D+01          0.033258          0.076579
 Vib (V=0)   12  0.106198D+01          0.026118          0.060140
 Vib (V=0)   13  0.105392D+01          0.022808          0.052518
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.604417D+06          5.781336         13.312019
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     33 33             33                                           11          1111111111   111                                     
     55 54             00                                           87          4443332222   100   9 8888  766 6555  4 333 22        
     87 09             54                                           09          6609537633   196   5 3210  387 1842  3 811 53   986  
     19 44             69                                           66          8515027440   691   1 3577  254 6904  6 473 86   900  
 
     XX XX             XX                                           XX          XXXXX X XX   XXX   X XXXX  XXX XXXX  X XXX XX   XXX  
     XX XX                                                          X            XXXX         X    X X      X              X         
     XX XX                                                          X             XXX         X      X      X                        
      X X                                                           X             XXX         X      X      X                        
      X X                                                           X             XXX         X      X      X                        
      X X                                                           X             XXX                       X                        
      X X                                                           X             XXX                                                
      X X                                                           X             XXX                                                
        X                                                           X              XX                                                
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                                          X                                                 
        X                                                                          X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000011927    0.000008036   -0.000000449
      2        8           0.000000843   -0.000010721    0.000004190
      3        8          -0.000000785   -0.000000837    0.000001173
      4        6          -0.000003677   -0.000003648   -0.000004793
      5        6          -0.000006845   -0.000016616    0.000005352
      6        6           0.000004306    0.000000083   -0.000001205
      7        8          -0.000005931    0.000008061   -0.000000754
      8        8           0.000003501    0.000000616    0.000003380
      9        8          -0.000004346    0.000000887    0.000006984
     10        8           0.000000503    0.000000039   -0.000002243
     11        1          -0.000001790   -0.000003411   -0.000002441
     12        1           0.000004758    0.000007190   -0.000004825
     13        1           0.000000702    0.000002931    0.000000283
     14        1          -0.000002836   -0.000002321   -0.000001089
     15        1          -0.000001578    0.000004136    0.000000919
     16        1           0.000001250    0.000005574   -0.000004482
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016616 RMS     0.000004954
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.723237D+02 -0.579592D+01 -0.250165D-03
      2  -0.579592D+01  0.767504D+02  0.214781D-03
      3  -0.250165D-03  0.214781D-03  0.617551D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.806292D+01  0.508101D+01  0.830266D-04
      2  -0.250769D+02 -0.939547D+01 -0.665936D-03
      3   0.218376D-03  0.116235D-05  0.162219D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.408612D-02  0.185893D-02 -0.389177D+02
      2   0.236564D-02 -0.637198D-03 -0.185061D+01
      3   0.172048D-02 -0.122173D-02  0.407683D+02
      4   0.182279D-03  0.132142D-02 -0.130318D+02
      5  -0.175880D+02 -0.344832D+01  0.466202D-03
      6  -0.517138D+00  0.954486D+00 -0.168018D-02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.475405D-02 -0.113792D+01  0.245954D+00  0.127030D+01 -0.109526D+01
      2  -0.113792D+01 -0.765012D+00 -0.840706D+00 -0.109526D+01  0.524436D+01
      3   0.245954D+00 -0.840706D+00 -0.825149D+00  0.540079D-01  0.101287D+01
                 6             7             8             9            10 
      1   0.540079D-01  0.152714D+01 -0.152796D+01 -0.118662D+00  0.150572D+01
      2   0.101287D+01 -0.152796D+01  0.144065D+01 -0.594003D+00 -0.251025D+01
      3   0.586090D+00 -0.118662D+00 -0.594003D+00  0.443851D-01 -0.576650D+00
                11            12            13            14            15 
      1  -0.251025D+01 -0.576650D+00 -0.437206D+01  0.360726D+00 -0.106607D+01
      2  -0.179312D+00 -0.434527D-01  0.360726D+00 -0.112578D+02 -0.191392D+01
      3  -0.434527D-01  0.724315D+00 -0.106607D+01 -0.191392D+01 -0.308390D+01
                16            17            18            19            20 
      1  -0.121624D+01  0.241107D+00 -0.287633D-01 -0.560563D+01  0.144407D+01
      2   0.241107D+00 -0.269576D+01 -0.286776D+01  0.144407D+01 -0.924762D+00
      3  -0.287633D-01 -0.286776D+01 -0.250145D+01 -0.182715D+01  0.372869D+00
                21            22            23            24            25 
      1  -0.182715D+01 -0.582199D+00 -0.100146D+01 -0.402814D+00 -0.304780D+01
      2   0.372869D+00 -0.100146D+01 -0.153182D+01 -0.198588D+01  0.723819D+00
      3  -0.120213D+01 -0.402814D+00 -0.198588D+01 -0.511279D+00 -0.283881D+01
                26            27            28            29            30 
      1   0.723819D+00 -0.283881D+01 -0.435341D+01  0.152325D+01 -0.809044D-01
      2  -0.228346D+01  0.879715D+00  0.152325D+01  0.117249D+01  0.671509D-01
      3   0.879715D+00 -0.342307D+01 -0.809044D-01  0.671509D-01  0.236443D+01
                31            32            33            34            35 
      1   0.242660D+01  0.195493D+01 -0.622826D+00 -0.516280D+00  0.156768D+00
      2   0.195493D+01 -0.263579D+01 -0.727109D+00  0.156768D+00 -0.468010D+00
      3  -0.622826D+00 -0.727109D+00  0.323831D+01  0.210704D+01  0.192093D+01
                36            37            38            39            40 
      1   0.210704D+01  0.435381D+01 -0.152286D+01 -0.818072D-01 -0.242610D+01
      2   0.192093D+01 -0.152286D+01 -0.117250D+01  0.669171D-01 -0.195485D+01
      3  -0.253247D+01 -0.818072D-01  0.669171D-01 -0.236413D+01 -0.622893D+00
                41            42            43            44            45 
      1  -0.195485D+01 -0.622893D+00 -0.516934D+00  0.156418D+00 -0.210653D+01
      2   0.263637D+01 -0.727585D+00  0.156418D+00 -0.468506D+00 -0.192051D+01
      3  -0.727585D+00 -0.323797D+01 -0.210653D+01 -0.192051D+01 -0.253303D+01
                46            47            48            49            50 
      1   0.359421D-02  0.113772D+01  0.246472D+00 -0.127090D+01  0.109468D+01
      2   0.113772D+01  0.764338D+00 -0.840442D+00  0.109468D+01 -0.524505D+01
      3   0.246472D+00 -0.840442D+00  0.824393D+00  0.542444D-01  0.101310D+01
                51            52            53            54            55 
      1   0.542444D-01  0.152742D+01 -0.152755D+01  0.118050D+00 -0.150516D+01
      2   0.101310D+01 -0.152755D+01  0.144035D+01  0.593818D+00  0.251027D+01
      3  -0.586241D+00  0.118050D+00  0.593818D+00  0.445321D-01 -0.576610D+00
                56            57            58            59            60 
      1   0.251027D+01 -0.576610D+00  0.437224D+01 -0.360272D+00 -0.106613D+01
      2   0.179730D+00 -0.435181D-01 -0.360272D+00  0.112581D+02 -0.191388D+01
      3  -0.435181D-01 -0.723990D+00 -0.106613D+01 -0.191388D+01  0.308394D+01
                61            62            63            64            65 
      1  -0.121603D+01  0.241076D+00  0.289862D-01 -0.415266D+01  0.151862D+01
      2   0.241076D+00 -0.269527D+01  0.286764D+01  0.151862D+01 -0.209268D+01
      3   0.289862D-01  0.286764D+01 -0.250117D+01  0.168539D+01 -0.187453D+00
                66            67            68            69            70 
      1   0.168539D+01 -0.435070D+00 -0.225814D+01  0.931708D+00  0.275660D+01
      2  -0.187453D+00 -0.225814D+01  0.601950D+01  0.186677D+01 -0.225704D-01
      3  -0.185231D+01  0.931708D+00  0.186677D+01  0.101962D+00 -0.186326D+01
                71            72            73            74            75 
      1  -0.225704D-01 -0.186326D+01  0.415276D+01 -0.151834D+01  0.168518D+01
      2   0.202888D+01  0.155877D+01 -0.151834D+01  0.209364D+01 -0.187740D+00
      3   0.155877D+01  0.253457D+01  0.168518D+01 -0.187740D+00  0.185241D+01
                76            77            78            79            80 
      1   0.435312D+00  0.225858D+01  0.931550D+00  0.275571D+01 -0.225984D-01
      2   0.225858D+01 -0.601881D+01  0.186684D+01 -0.225984D-01  0.202886D+01
      3   0.931550D+00  0.186684D+01 -0.101890D+00  0.186294D+01 -0.155867D+01
                81            82            83            84            85 
      1   0.186294D+01  0.560531D+01 -0.144406D+01 -0.182725D+01  0.582043D+00
      2  -0.155867D+01 -0.144406D+01  0.924863D+00  0.372767D+00  0.100135D+01
      3   0.253400D+01 -0.182725D+01  0.372767D+00  0.120228D+01 -0.402771D+00
                86            87            88            89            90 
      1   0.100135D+01 -0.402771D+00 -0.304768D+01  0.723741D+00  0.283883D+01
      2   0.153198D+01 -0.198590D+01  0.723741D+00 -0.228347D+01 -0.879713D+00
      3  -0.198590D+01  0.511258D+00  0.283883D+01 -0.879713D+00 -0.342342D+01
                91            92            93            94            95 
      1  -0.133264D+01 -0.829375D+00  0.187288D+01 -0.140244D+01 -0.103474D+01
      2  -0.829375D+00 -0.859204D+00  0.259243D+00 -0.103474D+01 -0.106870D+01
      3   0.187288D+01  0.259243D+00 -0.239015D+01  0.555770D+00  0.152045D+01
                96            97            98            99           100 
      1   0.555770D+00  0.227607D+01  0.444962D+00 -0.224721D+01  0.133241D+01
      2   0.152045D+01  0.444962D+00  0.163838D+01 -0.138570D+01  0.829360D+00
      3  -0.229785D+01 -0.224721D+01 -0.138570D+01  0.647946D+01  0.187289D+01
               101           102           103           104           105 
      1   0.829360D+00  0.187289D+01  0.140236D+01  0.103474D+01  0.555756D+00
      2   0.859197D+00  0.259253D+00  0.103474D+01  0.106870D+01  0.152044D+01
      3   0.259253D+00  0.239001D+01  0.555756D+00  0.152044D+01  0.229779D+01
               106           107           108           109           110 
      1   0.227610D+01  0.444998D+00  0.224703D+01  0.907812D+00 -0.865936D+00
      2   0.444998D+00  0.163849D+01  0.138569D+01 -0.865936D+00  0.645433D+00
      3   0.224703D+01  0.138569D+01  0.647941D+01  0.363127D+00  0.166934D+00
               111           112           113           114           115 
      1   0.363127D+00 -0.267245D+01  0.122328D+01  0.103439D+01  0.116576D+01
      2   0.166934D+00  0.122328D+01 -0.441876D+01  0.432506D+00 -0.167651D-01
      3   0.658142D-01  0.103439D+01  0.432506D+00 -0.177307D+01 -0.341520D+00
               116           117           118           119           120 
      1  -0.167651D-01 -0.341520D+00 -0.907879D+00  0.865789D+00  0.363049D+00
      2   0.108154D+01 -0.867288D+00  0.865789D+00 -0.645639D+00  0.166696D+00
      3  -0.867288D+00  0.424091D+00  0.363049D+00  0.166696D+00 -0.660526D-01
               121           122           123           124           125 
      1   0.267256D+01 -0.122331D+01  0.103426D+01  0.116581D+01 -0.169441D-01
      2  -0.122331D+01  0.441841D+01  0.432489D+00 -0.169441D-01  0.108137D+01
      3   0.103426D+01  0.432489D+00  0.177285D+01  0.341298D+00  0.867056D+00
               126           127           128           129           130 
      1   0.341298D+00  0.356592D+01  0.333947D+00 -0.168259D+01  0.167980D+01
      2   0.867056D+00  0.333947D+00  0.100916D+01  0.205721D+00  0.321467D+00
      3   0.423843D+00 -0.168259D+01  0.205721D+00  0.143283D+01 -0.484143D+00
               131           132           133           134           135 
      1   0.321467D+00 -0.484143D+00 -0.294546D+01  0.772245D-03  0.115161D+01
      2   0.253594D+01 -0.205638D+00  0.772245D-03 -0.742125D+00  0.426328D+00
      3  -0.205638D+00  0.111193D+01  0.115161D+01  0.426328D+00 -0.102521D+01
               136           137           138           139           140 
      1  -0.356523D+01 -0.334278D+00 -0.168198D+01 -0.167999D+01 -0.321726D+00
      2  -0.334278D+00 -0.100973D+01  0.205760D+00 -0.321726D+00 -0.253669D+01
      3  -0.168198D+01  0.205760D+00 -0.143256D+01 -0.484033D+00 -0.205535D+00
               141           142           143           144 
      1  -0.484033D+00 -0.294420D+01  0.728966D-03 -0.115102D+01
      2  -0.205535D+00  0.728966D-03 -0.741926D+00 -0.426304D+00
      3  -0.111193D+01 -0.115102D+01 -0.426304D+00 -0.102448D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.194959D+01 -0.308936D+01 -0.242328D+01 -0.392782D+01 -0.490260D+01
      2   0.985359D+01  0.554001D+01  0.585602D+01  0.603470D+01 -0.704911D+00
      3   0.324734D+01 -0.497268D+01 -0.279750D+01 -0.551496D+01  0.429879D+01
                 6             7             8             9            10 
      1   0.279203D+01  0.492592D+00  0.410541D+01  0.376555D+01  0.203074D+01
      2   0.198850D+01 -0.455953D+01  0.288462D+00 -0.963913D+01 -0.692676D+00
      3   0.291496D+01 -0.754736D+01  0.525624D+01 -0.221264D+01 -0.617129D+01
                11            12            13            14            15 
      1   0.161657D+00  0.693893D+00 -0.188131D+01  0.458513D+01 -0.989655D+01
      2  -0.213080D+01  0.438365D+00 -0.158143D+01  0.343284D+01  0.314429D+01
      3  -0.740430D+00  0.474046D+00  0.137947D+02 -0.169907D+02 -0.922767D+00
                16            17            18            19            20 
      1  -0.155815D+01  0.196582D+01 -0.425488D+01 -0.922143D-01  0.232466D+01
      2  -0.399996D+01  0.504668D+01  0.573725D+01 -0.148217D+01 -0.114234D+01
      3   0.469894D+01 -0.391075D+01 -0.407895D+01  0.887279D+00 -0.691384D+01
                21            22            23            24            25 
      1   0.200971D+01  0.203968D+01  0.429569D+01  0.941547D+00 -0.566134D+00
      2   0.498059D+01 -0.954870D+00  0.439522D+01  0.577439D+00  0.290080D+01
      3   0.112662D+00 -0.143882D+01 -0.643428D+01 -0.664549D+01 -0.317261D+00
                26            27            28            29            30 
      1   0.635226D+01  0.133088D+01  0.184415D+01  0.150609D+01 -0.284746D+00
      2   0.922968D+00  0.107553D+02  0.929693D+01 -0.443868D+00  0.116331D+01
      3  -0.892645D+01  0.101268D+01  0.118773D+01 -0.169166D+01 -0.257981D+00
                31            32            33            34            35 
      1   0.294865D+01 -0.345115D+01 -0.131890D+01  0.507592D+00  0.336833D+01
      2  -0.520166D+01 -0.161626D+01  0.831594D+00 -0.579850D+01 -0.349977D+00
      3   0.360798D+01 -0.173299D+01 -0.148414D+01  0.527005D-01 -0.109908D+01
                36            37            38            39            40 
      1   0.195151D+01 -0.184376D+01 -0.150613D+01 -0.284986D+00 -0.294853D+01
      2   0.219752D+01 -0.929859D+01  0.442873D+00  0.116515D+01  0.520012D+01
      3   0.885387D+00  0.118727D+01 -0.169142D+01  0.258400D+00  0.360822D+01
                41            42            43            44            45 
      1   0.345251D+01 -0.131939D+01  0.506780D+00  0.336772D+01 -0.195099D+01
      2   0.161523D+01  0.832341D+00 -0.579666D+01 -0.348561D+00 -0.219970D+01
      3  -0.173421D+01  0.148487D+01 -0.517832D-01  0.109954D+01  0.884606D+00
                46            47            48            49            50 
      1   0.194832D+01  0.308899D+01 -0.242149D+01  0.392748D+01  0.490126D+01
      2  -0.985244D+01 -0.553834D+01  0.585504D+01 -0.603209D+01  0.706023D+00
      3   0.324654D+01 -0.497194D+01  0.279723D+01 -0.551517D+01  0.429927D+01
                51            52            53            54            55 
      1   0.279234D+01  0.492427D+00  0.410563D+01 -0.376476D+01 -0.203000D+01
      2   0.198656D+01 -0.455977D+01  0.287901D+00  0.963974D+01  0.693380D+00
      3  -0.291533D+01  0.754577D+01 -0.525550D+01 -0.221203D+01 -0.616947D+01
                56            57            58            59            60 
      1  -0.161801D+00  0.692528D+00  0.188078D+01 -0.458506D+01 -0.989623D+01
      2   0.213055D+01  0.438518D+00  0.158037D+01 -0.343278D+01  0.314500D+01
      3  -0.741349D+00 -0.474437D+00  0.137941D+02 -0.169901D+02  0.922943D+00
                61            62            63            64            65 
      1  -0.155851D+01  0.196595D+01  0.425449D+01 -0.403980D+01 -0.280883D+01
      2  -0.400010D+01  0.504616D+01 -0.573627D+01  0.431670D+00 -0.218227D+01
      3  -0.469858D+01  0.391034D+01 -0.407816D+01 -0.119436D+02 -0.589298D+01
                66            67            68            69            70 
      1   0.498122D+01 -0.586847D+01  0.558688D+01 -0.190220D+01  0.490040D+01
      2   0.397829D+01 -0.622356D+00  0.735054D+00 -0.216258D+01 -0.238477D+01
      3   0.580377D+01  0.116486D+00  0.403420D+01  0.546852D+01  0.910678D+01
                71            72            73            74            75 
      1   0.478431D+01 -0.389926D+01  0.403944D+01  0.280947D+01  0.498132D+01
      2  -0.146104D+01 -0.191666D+01 -0.432851D+00  0.218168D+01  0.397826D+01
      3   0.293777D+01 -0.292541D+01 -0.119443D+02 -0.589510D+01 -0.580240D+01
                76            77            78            79            80 
      1   0.586915D+01 -0.558662D+01 -0.190123D+01  0.489946D+01  0.478520D+01
      2   0.622348D+00 -0.735574D+00 -0.216235D+01 -0.238491D+01 -0.146064D+01
      3   0.114051D+00  0.403293D+01 -0.546858D+01 -0.910441D+01 -0.293748D+01
                81            82            83            84            85 
      1   0.389762D+01  0.923738D-01 -0.232469D+01  0.200933D+01 -0.203933D+01
      2   0.191601D+01  0.148229D+01  0.114185D+01  0.498034D+01  0.954486D+00
      3  -0.292476D+01  0.886962D+00 -0.691390D+01 -0.112410D+00 -0.143767D+01
                86            87            88            89            90 
      1  -0.429596D+01  0.941997D+00 -0.565765D+00  0.635265D+01 -0.133134D+01
      2  -0.439534D+01  0.577845D+00  0.290018D+01  0.922983D+00 -0.107553D+02
      3  -0.643410D+01  0.664525D+01  0.317465D+00  0.892618D+01  0.101251D+01
                91            92            93            94            95 
      1  -0.973126D+00 -0.130650D+01  0.657297D-02 -0.126138D+01 -0.134341D+01
      2   0.224351D+00  0.521859D+00 -0.747115D-03  0.173927D+01  0.500316D-02
      3  -0.472167D+00 -0.169948D+01  0.206989D+00  0.207143D+00 -0.114288D+01
                96            97            98            99           100 
      1   0.113056D+01  0.182256D+00  0.336551D+01 -0.114362D+01  0.973061D+00
      2   0.717615D+00 -0.285802D+01  0.271762D+00 -0.229487D+01 -0.223941D+00
      3   0.167292D+01 -0.289109D+00  0.208192D+01 -0.629989D+00 -0.471965D+00
               101           102           103           104           105 
      1   0.130643D+01  0.644565D-02  0.126140D+01  0.134313D+01  0.113047D+01
      2  -0.521882D+00 -0.877619D-03 -0.173919D+01 -0.501363D-02  0.717547D+00
      3  -0.169935D+01 -0.206919D+00  0.207313D+00 -0.114260D+01 -0.167287D+01
               106           107           108           109           110 
      1   0.182260D+00  0.336544D+01  0.114314D+01  0.147659D+01  0.978495D+00
      2  -0.285807D+01  0.271576D+00  0.229527D+01 -0.632836D-01 -0.540628D+00
      3   0.289247D+00 -0.208202D+01 -0.629738D+00  0.271705D+01 -0.519370D+00
               111           112           113           114           115 
      1  -0.565510D+00  0.665898D+00  0.711258D+01 -0.366153D+01 -0.889689D+00
      2   0.154325D-01  0.677896D+00  0.266643D+01 -0.458990D+01 -0.843612D+00
      3  -0.134926D+01  0.910330D+00  0.139913D+02 -0.389250D+01 -0.159023D+01
               116           117           118           119           120 
      1  -0.263411D+01  0.161220D+01 -0.147636D+01 -0.978244D+00 -0.564958D+00
      2  -0.307959D+01  0.294963D+01  0.636090D-01  0.541206D+00  0.159501D-01
      3  -0.566689D+01  0.343598D+01  0.271668D+01 -0.519892D+00  0.134843D+01
               121           122           123           124           125 
      1  -0.665982D+00 -0.711166D+01 -0.366098D+01 -0.889189D+00 -0.263336D+01
      2  -0.677770D+00 -0.266617D+01 -0.458949D+01 -0.843279D+00 -0.307900D+01
      3   0.910555D+00  0.139909D+02  0.389241D+01  0.158985D+01  0.566649D+01
               126           127           128           129           130 
      1  -0.161131D+01  0.682558D+01  0.214818D+01 -0.441800D+01  0.308357D+01
      2  -0.294901D+01 -0.157052D+01  0.471021D+00 -0.991389D+00 -0.504688D+00
      3   0.343503D+01  0.119971D+02  0.324228D+01 -0.664190D+01  0.639930D+01
               131           132           133           134           135 
      1   0.210898D+01 -0.352664D+01 -0.451778D+01 -0.211938D+01  0.372818D+01
      2   0.762766D-01 -0.507196D+00 -0.538819D+00 -0.190696D+00  0.169615D+01
      3   0.252724D+01 -0.269924D+01 -0.957460D+01 -0.254628D+01  0.451318D+01
               136           137           138           139           140 
      1  -0.682540D+01 -0.214843D+01 -0.441804D+01 -0.308365D+01 -0.210982D+01
      2   0.157052D+01 -0.470804D+00 -0.990936D+00  0.504874D+00 -0.760336D-01
      3   0.119973D+02  0.324274D+01  0.664117D+01  0.640006D+01  0.252894D+01
               141           142           143           144 
      1  -0.352663D+01 -0.451687D+01 -0.211902D+01 -0.372730D+01
      2  -0.507225D+00 -0.538625D+00 -0.190769D+00 -0.169577D+01
      3   0.269890D+01  0.957258D+01  0.254598D+01  0.451231D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.528148D+01 -0.709623D+00 -0.991578D+00  0.576607D+01  0.161962D+02
      2   0.257293D+01  0.152396D+01  0.388256D+01 -0.558026D+01 -0.245607D+02
      3   0.270854D+01 -0.814338D+00 -0.289098D+01 -0.185805D+00  0.836453D+01
      4   0.924461D+01  0.154460D+01  0.227428D+01 -0.900006D+01 -0.127688D+02
      5  -0.681673D+01  0.230101D+01 -0.387843D+00 -0.230060D+01 -0.209225D+01
      6  -0.130627D+01 -0.288359D+01  0.771137D+01 -0.364805D+01 -0.818425D+01
                 6             7             8             9            10 
      1   0.395772D+01 -0.114136D+02  0.887406D+01  0.327492D+01 -0.318297D+00
      2  -0.249154D+01  0.816000D+01 -0.907652D+01 -0.237753D+01  0.479129D+01
      3  -0.146619D+01  0.325358D+01  0.202461D+00 -0.897382D+00 -0.447299D+01
      4  -0.480979D+01 -0.606051D+00 -0.785134D+01  0.187933D+01  0.583439D+01
      5   0.464243D+01  0.214945D+00  0.439636D+01 -0.683929D+01  0.103566D+01
      6  -0.127256D+02  0.108553D+01 -0.154215D+01 -0.394939D+01  0.378685D+01
                11            12            13            14            15 
      1   0.876417D+01  0.264164D+01  0.942238D+01 -0.286536D+02 -0.366774D+01
      2  -0.390444D+01 -0.179696D+01 -0.333205D+01  0.478735D+02  0.316867D+01
      3  -0.485973D+01 -0.844682D+00 -0.609032D+01 -0.192200D+02  0.499074D+00
      4   0.135405D+02  0.248559D+01  0.156165D+02  0.323284D+02  0.562042D+01
      5   0.252040D+01  0.489180D+01  0.667958D+01  0.832575D+00  0.575631D+01
      6   0.477730D+00 -0.215022D+01  0.155772D+01  0.162578D+02  0.175143D+02
                16            17            18            19            20 
      1   0.432178D+01 -0.101493D+02 -0.109984D+02  0.409837D+02 -0.563032D+01
      2  -0.283655D+01  0.748597D+01  0.284509D+01 -0.245703D+02  0.275328D+01
      3  -0.148524D+01  0.266337D+01  0.815333D+01 -0.164135D+02  0.287704D+01
      4   0.345315D+01  0.800592D+01  0.819121D+01 -0.849696D+01  0.937199D+01
      5   0.589615D+01  0.582789D+01  0.610014D+01  0.153177D+02 -0.308306D+01
      6  -0.491071D+00  0.154657D+02  0.117369D+02 -0.339052D+01  0.319539D+01
                21            22            23            24            25 
      1   0.771547D+01 -0.555308D+00  0.172257D+01  0.270938D+01  0.138585D+02
      2  -0.675375D+01  0.462659D+00 -0.136279D+01 -0.201290D+01 -0.118709D+02
      3  -0.961720D+00  0.926495D-01 -0.359776D+00 -0.696475D+00 -0.198755D+01
      4  -0.287051D+01  0.104625D+02  0.499941D+01  0.872663D+01 -0.500315D+01
      5   0.143890D+02  0.493469D+00  0.938775D+01 -0.521128D+00  0.176604D+02
      6  -0.456847D+01  0.281451D+01 -0.195134D+01  0.761696D+01 -0.327981D+01
                26            27            28            29            30 
      1  -0.776538D+00  0.469063D+01  0.795233D+00 -0.285935D+01 -0.439524D+01
      2   0.629554D+00 -0.148091D+02  0.162782D+01  0.394303D+01 -0.433651D+01
      3   0.146984D+00  0.101184D+02 -0.242306D+01 -0.108368D+01  0.873175D+01
      4   0.108123D+02 -0.363203D+01 -0.235098D+01 -0.149327D+01  0.182758D+01
      5  -0.520982D+01  0.193714D+02  0.880373D+00  0.117149D+01 -0.686218D+01
      6   0.716712D+01 -0.542332D+01  0.594086D+01  0.377451D+01 -0.151108D+01
                31            32            33            34            35 
      1   0.106989D+01  0.283275D+01 -0.315947D+01 -0.199168D+01 -0.343924D+01
      2   0.301506D+01 -0.509221D+01 -0.660247D+01 -0.350747D+01 -0.127627D+01
      3  -0.408496D+01  0.225946D+01  0.976194D+01  0.549915D+01  0.471550D+01
      4  -0.719790D+01  0.443308D+01  0.154299D+01  0.168205D+01  0.260277D+01
      5   0.228318D+01  0.475601D+01 -0.648984D+01 -0.514724D+01 -0.419396D+01
      6   0.198137D+01 -0.323659D+01 -0.796559D+01 -0.125443D+01 -0.206888D+00
                36            37            38            39            40 
      1  -0.681661D-01  0.796844D+00 -0.285898D+01  0.439433D+01  0.107054D+01
      2   0.949552D+01  0.162748D+01  0.394336D+01  0.433648D+01  0.301422D+01
      3  -0.942735D+01 -0.242432D+01 -0.108438D+01 -0.873081D+01 -0.408477D+01
      4  -0.265712D+01 -0.234916D+01 -0.149299D+01 -0.182742D+01 -0.719767D+01
      5   0.139836D+02 -0.881189D+00 -0.117140D+01 -0.686108D+01 -0.228290D+01
      6   0.894613D+01 -0.594025D+01 -0.377506D+01 -0.151050D+01 -0.198176D+01
                41            42            43            44            45 
      1   0.283318D+01  0.315860D+01  0.199046D+01  0.343786D+01 -0.670338D-01
      2  -0.509190D+01  0.660217D+01  0.350725D+01  0.127709D+01  0.949458D+01
      3   0.225872D+01 -0.976077D+01 -0.549772D+01 -0.471496D+01 -0.942755D+01
      4   0.443501D+01 -0.154402D+01 -0.168207D+01 -0.260372D+01 -0.265596D+01
      5  -0.475756D+01 -0.648873D+01 -0.514495D+01 -0.419272D+01 -0.139848D+02
      6   0.323745D+01 -0.796659D+01 -0.125388D+01 -0.206828D+00 -0.894609D+01
                46            47            48            49            50 
      1  -0.528254D+01 -0.708744D+00  0.991948D+00  0.576527D+01  0.161947D+02
      2   0.257350D+01  0.152227D+01 -0.388296D+01 -0.558035D+01 -0.245606D+02
      3   0.270904D+01 -0.813525D+00  0.289102D+01 -0.184922D+00  0.836598D+01
      4   0.924282D+01  0.154282D+01 -0.227299D+01 -0.900195D+01 -0.127710D+02
      5   0.681776D+01 -0.230046D+01 -0.388876D+00  0.230121D+01  0.209252D+01
      6   0.130702D+01  0.288454D+01  0.770947D+01  0.364755D+01  0.818443D+01
                51            52            53            54            55 
      1  -0.395665D+01  0.114131D+02 -0.887190D+01  0.327371D+01 -0.315871D+00
      2   0.249183D+01 -0.815889D+01  0.907493D+01 -0.237732D+01  0.479031D+01
      3   0.146482D+01 -0.325423D+01 -0.203026D+00 -0.896385D+00 -0.447444D+01
      4   0.480960D+01  0.606623D+00  0.785072D+01  0.187864D+01  0.583567D+01
      5   0.464135D+01  0.213595D+00  0.439574D+01  0.683969D+01 -0.103625D+01
      6  -0.127249D+02  0.108465D+01 -0.154231D+01  0.394856D+01 -0.378688D+01
                56            57            58            59            60 
      1   0.876369D+01 -0.264102D+01  0.942182D+01 -0.286521D+02  0.366686D+01
      2  -0.390339D+01  0.179688D+01 -0.333081D+01  0.478738D+02 -0.316838D+01
      3  -0.486030D+01  0.844136D+00 -0.609101D+01 -0.192217D+02 -0.498476D+00
      4   0.135426D+02 -0.248539D+01  0.156178D+02  0.323303D+02 -0.561984D+01
      5  -0.252021D+01  0.489224D+01 -0.668008D+01 -0.832261D+00  0.575721D+01
      6  -0.478694D+00 -0.214873D+01 -0.155740D+01 -0.162578D+02  0.175133D+02
                61            62            63            64            65 
      1  -0.432092D+01  0.101479D+02 -0.109971D+02  0.745261D+01  0.135592D+01
      2   0.283614D+01 -0.748426D+01  0.284537D+01 -0.403101D+01 -0.528181D+01
      3   0.148478D+01 -0.266361D+01  0.815168D+01 -0.342159D+01  0.392589D+01
      4  -0.345267D+01 -0.800470D+01  0.819124D+01 -0.110589D+02  0.107859D+02
      5   0.589644D+01  0.582799D+01 -0.609946D+01 -0.274669D+01  0.210320D+01
      6  -0.490020D+00  0.154653D+02 -0.117360D+02  0.837050D+01 -0.457505D+01
                66            67            68            69            70 
      1   0.188481D+01 -0.879653D+00 -0.120420D+02 -0.375965D+01  0.668861D+00
      2   0.121836D+01 -0.432654D+01  0.209484D+02  0.526089D+01  0.119846D+01
      3  -0.310317D+01  0.520619D+01 -0.890639D+01 -0.150125D+01 -0.186732D+01
      4   0.414498D+01  0.102253D+02 -0.143676D+02 -0.225207D+01  0.671577D+01
      5   0.895587D+01  0.164233D+01 -0.790759D+01 -0.201796D+01  0.737384D+01
      6  -0.511560D+01 -0.168174D+01  0.132171D+02  0.119631D+02 -0.537270D+01
                71            72            73            74            75 
      1  -0.602695D+01 -0.574363D+01  0.745432D+01  0.135810D+01 -0.188489D+01
      2   0.460466D+01 -0.332531D+01 -0.403322D+01 -0.528522D+01 -0.121802D+01
      3   0.142229D+01  0.906894D+01 -0.342110D+01  0.392712D+01  0.310291D+01
      4  -0.473816D+01 -0.571974D+01 -0.110591D+02  0.107860D+02 -0.414522D+01
      5  -0.399405D+01 -0.506464D+01  0.274752D+01 -0.210416D+01  0.895687D+01
      6   0.937568D+01  0.970058D+01 -0.836976D+01  0.457601D+01 -0.511568D+01
                76            77            78            79            80 
      1  -0.878402D+00 -0.120394D+02  0.375953D+01 -0.668703D+00  0.602707D+01
      2  -0.432788D+01  0.209442D+02 -0.526072D+01 -0.119858D+01 -0.460514D+01
      3   0.520629D+01 -0.890486D+01  0.150119D+01  0.186729D+01 -0.142194D+01
      4   0.102251D+02 -0.143688D+02  0.225246D+01 -0.671491D+01  0.473713D+01
      5  -0.164271D+01  0.790856D+01 -0.201816D+01  0.737445D+01 -0.399378D+01
      6   0.168239D+01 -0.132171D+02  0.119633D+02 -0.537155D+01  0.937514D+01
                81            82            83            84            85 
      1  -0.574257D+01  0.409807D+02 -0.563051D+01 -0.771580D+01 -0.555746D+00
      2  -0.332637D+01 -0.245691D+02  0.275366D+01  0.675410D+01  0.462948D+00
      3   0.906894D+01 -0.164116D+02  0.287686D+01  0.961700D+00  0.927985D-01
      4  -0.571889D+01 -0.849711D+01  0.937187D+01  0.287010D+01  0.104619D+02
      5   0.506392D+01 -0.153183D+02  0.308275D+01  0.143892D+02 -0.493443D+00
      6  -0.969950D+01  0.339025D+01 -0.319543D+01 -0.456819D+01 -0.281383D+01
                86            87            88            89            90 
      1   0.172219D+01 -0.270958D+01 -0.138576D+02  0.775974D+00  0.468994D+01
      2  -0.136321D+01  0.201289D+01  0.118704D+02 -0.629329D+00 -0.148093D+02
      3  -0.358983D+00  0.696695D+00  0.198724D+01 -0.146645D+00  0.101194D+02
      4   0.499979D+01 -0.872618D+01  0.500307D+01 -0.108122D+02 -0.363209D+01
      5  -0.938730D+01 -0.521176D+00  0.176603D+02 -0.520968D+01 -0.193722D+02
      6   0.195124D+01  0.761651D+01 -0.327980D+01  0.716746D+01  0.542383D+01
                91            92            93            94            95 
      1   0.283555D+01  0.139831D+01 -0.273724D+00  0.599115D+00 -0.222959D+01
      2  -0.692431D+01 -0.187988D+01  0.698366D+01 -0.169277D+01 -0.173855D+01
      3   0.408877D+01  0.481571D+00 -0.670994D+01  0.109366D+01  0.396815D+01
      4   0.275082D+01  0.325396D+01 -0.177138D+01  0.426368D+01  0.327028D+01
      5  -0.926280D+01 -0.238592D+01  0.127517D+02 -0.362464D+01 -0.530160D+01
      6  -0.326750D+01 -0.252868D+01  0.272742D+01 -0.303561D+01 -0.524857D+01
                96            97            98            99           100 
      1   0.371929D+01 -0.245648D+00  0.240813D+01 -0.100471D+02  0.283529D+01
      2   0.392083D+01  0.674693D+01  0.278764D+01 -0.167365D+02 -0.692399D+01
      3  -0.764013D+01 -0.650129D+01 -0.519577D+01  0.267835D+02  0.408870D+01
      4  -0.386858D+01 -0.197511D+01 -0.371981D+01  0.325975D+01  0.275084D+01
      5   0.717880D+01  0.115851D+02  0.426022D+01 -0.204952D+02  0.926250D+01
      6   0.899303D+01  0.251064D+01  0.630949D+01 -0.871144D+01  0.326784D+01
               101           102           103           104           105 
      1   0.139830D+01  0.273945D+00  0.599057D+00 -0.222963D+01 -0.371910D+01
      2  -0.187986D+01 -0.698320D+01 -0.169255D+01 -0.173840D+01 -0.392054D+01
      3   0.481562D+00  0.670925D+01  0.109349D+01  0.396802D+01  0.763964D+01
      4   0.325401D+01  0.177154D+01  0.426371D+01  0.327040D+01  0.386868D+01
      5   0.238599D+01  0.127511D+02  0.362448D+01  0.530165D+01  0.717868D+01
      6   0.252870D+01  0.272748D+01  0.303562D+01  0.524869D+01  0.899307D+01
               106           107           108           109           110 
      1   0.245977D+00 -0.240816D+01 -0.100469D+02  0.383826D+01 -0.392390D+01
      2  -0.674658D+01 -0.278765D+01 -0.167356D+02 -0.568277D+00  0.676085D+00
      3   0.650060D+01  0.519581D+01  0.267825D+02 -0.326998D+01  0.324781D+01
      4   0.197524D+01  0.372008D+01  0.325990D+01 -0.496026D+01  0.413226D+01
      5   0.115845D+02  0.426036D+01  0.204951D+02  0.182220D+01  0.713809D+00
      6   0.251077D+01  0.630960D+01  0.871220D+01 -0.102441D+00 -0.120613D+00
               111           112           113           114           115 
      1   0.103120D+01 -0.111005D+02  0.269107D+01  0.271410D+01  0.634550D+01
      2  -0.116515D+01  0.468717D+01  0.403799D+01 -0.366125D+01 -0.332950D+01
      3   0.133956D+00  0.641331D+01 -0.672906D+01  0.947145D+00 -0.301600D+01
      4  -0.309205D+00  0.787498D+01 -0.200140D+02  0.935375D+00 -0.850508D+00
      5   0.224748D+00  0.507989D+01  0.196176D+01 -0.709125D+01 -0.974654D+00
      6  -0.218373D+00 -0.246709D+01  0.475617D+01  0.183485D+01  0.430851D+00
               116           117           118           119           120 
      1  -0.115174D+01 -0.156347D+01  0.383856D+01 -0.392317D+01 -0.103074D+01
      2  -0.298894D+00  0.231958D+01 -0.568570D+00  0.675291D+00  0.116464D+01
      3   0.145063D+01 -0.756106D+00 -0.326999D+01  0.324788D+01 -0.133904D+00
      4   0.484553D+01 -0.295709D+01 -0.495991D+01  0.413271D+01  0.309871D+00
      5  -0.348355D+01  0.298460D+01 -0.182200D+01 -0.712803D+00  0.225583D+00
      6   0.572810D+00  0.432555D+00  0.102383D+00  0.120180D+00 -0.218758D+00
               121           122           123           124           125 
      1  -0.111011D+02  0.269173D+01 -0.271359D+01 -0.634560D+01  0.115260D+01
      2   0.468742D+01  0.403704D+01  0.366077D+01  0.332939D+01  0.298025D+00
      3   0.641366D+01 -0.672878D+01 -0.947184D+00  0.301621D+01 -0.145063D+01
      4   0.787516D+01 -0.200133D+02 -0.935732D+00  0.851231D+00 -0.484539D+01
      5  -0.507923D+01 -0.196194D+01 -0.709072D+01 -0.973634D+00 -0.348283D+01
      6   0.246659D+01 -0.475569D+01  0.183423D+01  0.430425D+00  0.572468D+00
               126           127           128           129           130 
      1  -0.156246D+01 -0.209033D+01 -0.226010D+01 -0.286788D+01 -0.238908D+01
      2   0.231856D+01  0.299418D+01  0.410260D+01 -0.679776D+00  0.290199D+01
      3  -0.756098D+00 -0.903853D+00 -0.184250D+01  0.354765D+01 -0.512911D+00
      4  -0.295672D+01  0.613953D+01 -0.276229D+01 -0.226256D+01  0.391716D+01
      5  -0.298386D+01  0.170893D+01  0.118081D+01 -0.308689D+01  0.171041D+01
      6  -0.432935D+00 -0.441774D+01  0.406109D+01  0.312515D+01 -0.110453D+01
               131           132           133           134           135 
      1  -0.610141D+01 -0.133599D+00  0.133259D+01  0.166417D+01 -0.130878D+00
      2   0.110618D+02 -0.205906D+01 -0.129839D+01 -0.365891D+01  0.200421D+01
      3  -0.496037D+01  0.219266D+01 -0.341983D-01  0.199474D+01 -0.187333D+01
      4  -0.779709D+00 -0.616341D+00 -0.490088D+01  0.368253D+01  0.163543D+01
      5   0.706639D+00 -0.145779D+01 -0.448034D+00 -0.502002D+00  0.229419D+01
      6   0.152069D+01  0.364763D+01  0.347297D+01  0.123360D+01 -0.243987D+01
               136           137           138           139           140 
      1  -0.209096D+01 -0.226170D+01  0.286720D+01 -0.239046D+01 -0.610348D+01
      2   0.299545D+01  0.410503D+01  0.679799D+00  0.290386D+01  0.110654D+02
      3  -0.904488D+00 -0.184333D+01 -0.354700D+01 -0.513400D+00 -0.496191D+01
      4   0.613776D+01 -0.276027D+01  0.226095D+01  0.391754D+01 -0.779524D+00
      5  -0.170894D+01 -0.118123D+01 -0.308613D+01 -0.171095D+01 -0.706967D+00
      6   0.441566D+01 -0.406103D+01  0.312471D+01  0.110400D+01 -0.152201D+01
               141           142           143           144 
      1   0.133753D+00 -0.133290D+01 -0.166402D+01 -0.131590D+00
      2   0.205909D+01  0.129854D+01  0.365895D+01  0.200409D+01
      3  -0.219284D+01  0.343580D-01 -0.199493D+01 -0.187250D+01
      4   0.616173D+00  0.489821D+01 -0.368167D+01  0.163413D+01
      5  -0.145802D+01 -0.447441D+00 -0.502079D+00 -0.229340D+01
      6   0.364747D+01  0.347150D+01  0.123417D+01  0.243807D+01
 Leave Link  716 at Fri Jul 23 18:21:58 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.723237D+02 -0.579592D+01 -0.250165D-03
      2  -0.579592D+01  0.767504D+02  0.214781D-03
      3  -0.250165D-03  0.214781D-03  0.617551D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.806292D+01  0.508101D+01  0.830266D-04
      2  -0.250769D+02 -0.939547D+01 -0.665936D-03
      3   0.218376D-03  0.116235D-05  0.162219D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.408612D-02  0.185893D-02 -0.389177D+02
      2   0.236564D-02 -0.637198D-03 -0.185061D+01
      3   0.172048D-02 -0.122173D-02  0.407683D+02
      4   0.182279D-03  0.132142D-02 -0.130318D+02
      5  -0.175880D+02 -0.344832D+01  0.466202D-03
      6  -0.517138D+00  0.954486D+00 -0.168018D-02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.475405D-02 -0.113792D+01  0.245954D+00  0.127030D+01 -0.109526D+01
      2  -0.113792D+01 -0.765012D+00 -0.840706D+00 -0.109526D+01  0.524436D+01
      3   0.245954D+00 -0.840706D+00 -0.825149D+00  0.540079D-01  0.101287D+01
                 6             7             8             9            10 
      1   0.540079D-01  0.152714D+01 -0.152796D+01 -0.118662D+00  0.150572D+01
      2   0.101287D+01 -0.152796D+01  0.144065D+01 -0.594003D+00 -0.251025D+01
      3   0.586090D+00 -0.118662D+00 -0.594003D+00  0.443851D-01 -0.576650D+00
                11            12            13            14            15 
      1  -0.251025D+01 -0.576650D+00 -0.437206D+01  0.360726D+00 -0.106607D+01
      2  -0.179312D+00 -0.434527D-01  0.360726D+00 -0.112578D+02 -0.191392D+01
      3  -0.434527D-01  0.724315D+00 -0.106607D+01 -0.191392D+01 -0.308390D+01
                16            17            18            19            20 
      1  -0.121624D+01  0.241107D+00 -0.287633D-01 -0.560563D+01  0.144407D+01
      2   0.241107D+00 -0.269576D+01 -0.286776D+01  0.144407D+01 -0.924762D+00
      3  -0.287633D-01 -0.286776D+01 -0.250145D+01 -0.182715D+01  0.372869D+00
                21            22            23            24            25 
      1  -0.182715D+01 -0.582199D+00 -0.100146D+01 -0.402814D+00 -0.304780D+01
      2   0.372869D+00 -0.100146D+01 -0.153182D+01 -0.198588D+01  0.723819D+00
      3  -0.120213D+01 -0.402814D+00 -0.198588D+01 -0.511279D+00 -0.283881D+01
                26            27            28            29            30 
      1   0.723819D+00 -0.283881D+01 -0.435341D+01  0.152325D+01 -0.809044D-01
      2  -0.228346D+01  0.879715D+00  0.152325D+01  0.117249D+01  0.671509D-01
      3   0.879715D+00 -0.342307D+01 -0.809044D-01  0.671509D-01  0.236443D+01
                31            32            33            34            35 
      1   0.242660D+01  0.195493D+01 -0.622826D+00 -0.516280D+00  0.156768D+00
      2   0.195493D+01 -0.263579D+01 -0.727109D+00  0.156768D+00 -0.468010D+00
      3  -0.622826D+00 -0.727109D+00  0.323831D+01  0.210704D+01  0.192093D+01
                36            37            38            39            40 
      1   0.210704D+01  0.435381D+01 -0.152286D+01 -0.818072D-01 -0.242610D+01
      2   0.192093D+01 -0.152286D+01 -0.117250D+01  0.669171D-01 -0.195485D+01
      3  -0.253247D+01 -0.818072D-01  0.669171D-01 -0.236413D+01 -0.622893D+00
                41            42            43            44            45 
      1  -0.195485D+01 -0.622893D+00 -0.516934D+00  0.156418D+00 -0.210653D+01
      2   0.263637D+01 -0.727585D+00  0.156418D+00 -0.468506D+00 -0.192051D+01
      3  -0.727585D+00 -0.323797D+01 -0.210653D+01 -0.192051D+01 -0.253303D+01
                46            47            48            49            50 
      1   0.359421D-02  0.113772D+01  0.246472D+00 -0.127090D+01  0.109468D+01
      2   0.113772D+01  0.764338D+00 -0.840442D+00  0.109468D+01 -0.524505D+01
      3   0.246472D+00 -0.840442D+00  0.824393D+00  0.542444D-01  0.101310D+01
                51            52            53            54            55 
      1   0.542444D-01  0.152742D+01 -0.152755D+01  0.118050D+00 -0.150516D+01
      2   0.101310D+01 -0.152755D+01  0.144035D+01  0.593818D+00  0.251027D+01
      3  -0.586241D+00  0.118050D+00  0.593818D+00  0.445321D-01 -0.576610D+00
                56            57            58            59            60 
      1   0.251027D+01 -0.576610D+00  0.437224D+01 -0.360272D+00 -0.106613D+01
      2   0.179730D+00 -0.435181D-01 -0.360272D+00  0.112581D+02 -0.191388D+01
      3  -0.435181D-01 -0.723990D+00 -0.106613D+01 -0.191388D+01  0.308394D+01
                61            62            63            64            65 
      1  -0.121603D+01  0.241076D+00  0.289862D-01 -0.415266D+01  0.151862D+01
      2   0.241076D+00 -0.269527D+01  0.286764D+01  0.151862D+01 -0.209268D+01
      3   0.289862D-01  0.286764D+01 -0.250117D+01  0.168539D+01 -0.187453D+00
                66            67            68            69            70 
      1   0.168539D+01 -0.435070D+00 -0.225814D+01  0.931708D+00  0.275660D+01
      2  -0.187453D+00 -0.225814D+01  0.601950D+01  0.186677D+01 -0.225704D-01
      3  -0.185231D+01  0.931708D+00  0.186677D+01  0.101962D+00 -0.186326D+01
                71            72            73            74            75 
      1  -0.225704D-01 -0.186326D+01  0.415276D+01 -0.151834D+01  0.168518D+01
      2   0.202888D+01  0.155877D+01 -0.151834D+01  0.209364D+01 -0.187740D+00
      3   0.155877D+01  0.253457D+01  0.168518D+01 -0.187740D+00  0.185241D+01
                76            77            78            79            80 
      1   0.435312D+00  0.225858D+01  0.931550D+00  0.275571D+01 -0.225984D-01
      2   0.225858D+01 -0.601881D+01  0.186684D+01 -0.225984D-01  0.202886D+01
      3   0.931550D+00  0.186684D+01 -0.101890D+00  0.186294D+01 -0.155867D+01
                81            82            83            84            85 
      1   0.186294D+01  0.560531D+01 -0.144406D+01 -0.182725D+01  0.582043D+00
      2  -0.155867D+01 -0.144406D+01  0.924863D+00  0.372767D+00  0.100135D+01
      3   0.253400D+01 -0.182725D+01  0.372767D+00  0.120228D+01 -0.402771D+00
                86            87            88            89            90 
      1   0.100135D+01 -0.402771D+00 -0.304768D+01  0.723741D+00  0.283883D+01
      2   0.153198D+01 -0.198590D+01  0.723741D+00 -0.228347D+01 -0.879713D+00
      3  -0.198590D+01  0.511258D+00  0.283883D+01 -0.879713D+00 -0.342342D+01
                91            92            93            94            95 
      1  -0.133264D+01 -0.829375D+00  0.187288D+01 -0.140244D+01 -0.103474D+01
      2  -0.829375D+00 -0.859204D+00  0.259243D+00 -0.103474D+01 -0.106870D+01
      3   0.187288D+01  0.259243D+00 -0.239015D+01  0.555770D+00  0.152045D+01
                96            97            98            99           100 
      1   0.555770D+00  0.227607D+01  0.444962D+00 -0.224721D+01  0.133241D+01
      2   0.152045D+01  0.444962D+00  0.163838D+01 -0.138570D+01  0.829360D+00
      3  -0.229785D+01 -0.224721D+01 -0.138570D+01  0.647946D+01  0.187289D+01
               101           102           103           104           105 
      1   0.829360D+00  0.187289D+01  0.140236D+01  0.103474D+01  0.555756D+00
      2   0.859197D+00  0.259253D+00  0.103474D+01  0.106870D+01  0.152044D+01
      3   0.259253D+00  0.239001D+01  0.555756D+00  0.152044D+01  0.229779D+01
               106           107           108           109           110 
      1   0.227610D+01  0.444998D+00  0.224703D+01  0.907812D+00 -0.865936D+00
      2   0.444998D+00  0.163849D+01  0.138569D+01 -0.865936D+00  0.645433D+00
      3   0.224703D+01  0.138569D+01  0.647941D+01  0.363127D+00  0.166934D+00
               111           112           113           114           115 
      1   0.363127D+00 -0.267245D+01  0.122328D+01  0.103439D+01  0.116576D+01
      2   0.166934D+00  0.122328D+01 -0.441876D+01  0.432506D+00 -0.167651D-01
      3   0.658142D-01  0.103439D+01  0.432506D+00 -0.177307D+01 -0.341520D+00
               116           117           118           119           120 
      1  -0.167651D-01 -0.341520D+00 -0.907879D+00  0.865789D+00  0.363049D+00
      2   0.108154D+01 -0.867288D+00  0.865789D+00 -0.645639D+00  0.166696D+00
      3  -0.867288D+00  0.424091D+00  0.363049D+00  0.166696D+00 -0.660526D-01
               121           122           123           124           125 
      1   0.267256D+01 -0.122331D+01  0.103426D+01  0.116581D+01 -0.169441D-01
      2  -0.122331D+01  0.441841D+01  0.432489D+00 -0.169441D-01  0.108137D+01
      3   0.103426D+01  0.432489D+00  0.177285D+01  0.341298D+00  0.867056D+00
               126           127           128           129           130 
      1   0.341298D+00  0.356592D+01  0.333947D+00 -0.168259D+01  0.167980D+01
      2   0.867056D+00  0.333947D+00  0.100916D+01  0.205721D+00  0.321467D+00
      3   0.423843D+00 -0.168259D+01  0.205721D+00  0.143283D+01 -0.484143D+00
               131           132           133           134           135 
      1   0.321467D+00 -0.484143D+00 -0.294546D+01  0.772245D-03  0.115161D+01
      2   0.253594D+01 -0.205638D+00  0.772245D-03 -0.742125D+00  0.426328D+00
      3  -0.205638D+00  0.111193D+01  0.115161D+01  0.426328D+00 -0.102521D+01
               136           137           138           139           140 
      1  -0.356523D+01 -0.334278D+00 -0.168198D+01 -0.167999D+01 -0.321726D+00
      2  -0.334278D+00 -0.100973D+01  0.205760D+00 -0.321726D+00 -0.253669D+01
      3  -0.168198D+01  0.205760D+00 -0.143256D+01 -0.484033D+00 -0.205535D+00
               141           142           143           144 
      1  -0.484033D+00 -0.294420D+01  0.728966D-03 -0.115102D+01
      2  -0.205535D+00  0.728966D-03 -0.741926D+00 -0.426304D+00
      3  -0.111193D+01 -0.115102D+01 -0.426304D+00 -0.102448D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.194959D+01 -0.308936D+01 -0.242328D+01 -0.392782D+01 -0.490260D+01
      2   0.985359D+01  0.554001D+01  0.585602D+01  0.603470D+01 -0.704911D+00
      3   0.324734D+01 -0.497268D+01 -0.279750D+01 -0.551496D+01  0.429879D+01
                 6             7             8             9            10 
      1   0.279203D+01  0.492592D+00  0.410541D+01  0.376555D+01  0.203074D+01
      2   0.198850D+01 -0.455953D+01  0.288462D+00 -0.963913D+01 -0.692676D+00
      3   0.291496D+01 -0.754736D+01  0.525624D+01 -0.221264D+01 -0.617129D+01
                11            12            13            14            15 
      1   0.161657D+00  0.693893D+00 -0.188131D+01  0.458513D+01 -0.989655D+01
      2  -0.213080D+01  0.438365D+00 -0.158143D+01  0.343284D+01  0.314429D+01
      3  -0.740430D+00  0.474046D+00  0.137947D+02 -0.169907D+02 -0.922767D+00
                16            17            18            19            20 
      1  -0.155815D+01  0.196582D+01 -0.425488D+01 -0.922143D-01  0.232466D+01
      2  -0.399996D+01  0.504668D+01  0.573725D+01 -0.148217D+01 -0.114234D+01
      3   0.469894D+01 -0.391075D+01 -0.407895D+01  0.887279D+00 -0.691384D+01
                21            22            23            24            25 
      1   0.200971D+01  0.203968D+01  0.429569D+01  0.941547D+00 -0.566134D+00
      2   0.498059D+01 -0.954870D+00  0.439522D+01  0.577439D+00  0.290080D+01
      3   0.112662D+00 -0.143882D+01 -0.643428D+01 -0.664549D+01 -0.317261D+00
                26            27            28            29            30 
      1   0.635226D+01  0.133088D+01  0.184415D+01  0.150609D+01 -0.284746D+00
      2   0.922968D+00  0.107553D+02  0.929693D+01 -0.443868D+00  0.116331D+01
      3  -0.892645D+01  0.101268D+01  0.118773D+01 -0.169166D+01 -0.257981D+00
                31            32            33            34            35 
      1   0.294865D+01 -0.345115D+01 -0.131890D+01  0.507592D+00  0.336833D+01
      2  -0.520166D+01 -0.161626D+01  0.831594D+00 -0.579850D+01 -0.349977D+00
      3   0.360798D+01 -0.173299D+01 -0.148414D+01  0.527005D-01 -0.109908D+01
                36            37            38            39            40 
      1   0.195151D+01 -0.184376D+01 -0.150613D+01 -0.284986D+00 -0.294853D+01
      2   0.219752D+01 -0.929859D+01  0.442873D+00  0.116515D+01  0.520012D+01
      3   0.885387D+00  0.118727D+01 -0.169142D+01  0.258400D+00  0.360822D+01
                41            42            43            44            45 
      1   0.345251D+01 -0.131939D+01  0.506780D+00  0.336772D+01 -0.195099D+01
      2   0.161523D+01  0.832341D+00 -0.579666D+01 -0.348561D+00 -0.219970D+01
      3  -0.173421D+01  0.148487D+01 -0.517832D-01  0.109954D+01  0.884606D+00
                46            47            48            49            50 
      1   0.194832D+01  0.308899D+01 -0.242149D+01  0.392748D+01  0.490126D+01
      2  -0.985244D+01 -0.553834D+01  0.585504D+01 -0.603209D+01  0.706023D+00
      3   0.324654D+01 -0.497194D+01  0.279723D+01 -0.551517D+01  0.429927D+01
                51            52            53            54            55 
      1   0.279234D+01  0.492427D+00  0.410563D+01 -0.376476D+01 -0.203000D+01
      2   0.198656D+01 -0.455977D+01  0.287901D+00  0.963974D+01  0.693380D+00
      3  -0.291533D+01  0.754577D+01 -0.525550D+01 -0.221203D+01 -0.616947D+01
                56            57            58            59            60 
      1  -0.161801D+00  0.692528D+00  0.188078D+01 -0.458506D+01 -0.989623D+01
      2   0.213055D+01  0.438518D+00  0.158037D+01 -0.343278D+01  0.314500D+01
      3  -0.741349D+00 -0.474437D+00  0.137941D+02 -0.169901D+02  0.922943D+00
                61            62            63            64            65 
      1  -0.155851D+01  0.196595D+01  0.425449D+01 -0.403980D+01 -0.280883D+01
      2  -0.400010D+01  0.504616D+01 -0.573627D+01  0.431670D+00 -0.218227D+01
      3  -0.469858D+01  0.391034D+01 -0.407816D+01 -0.119436D+02 -0.589298D+01
                66            67            68            69            70 
      1   0.498122D+01 -0.586847D+01  0.558688D+01 -0.190220D+01  0.490040D+01
      2   0.397829D+01 -0.622356D+00  0.735054D+00 -0.216258D+01 -0.238477D+01
      3   0.580377D+01  0.116486D+00  0.403420D+01  0.546852D+01  0.910678D+01
                71            72            73            74            75 
      1   0.478431D+01 -0.389926D+01  0.403944D+01  0.280947D+01  0.498132D+01
      2  -0.146104D+01 -0.191666D+01 -0.432851D+00  0.218168D+01  0.397826D+01
      3   0.293777D+01 -0.292541D+01 -0.119443D+02 -0.589510D+01 -0.580240D+01
                76            77            78            79            80 
      1   0.586915D+01 -0.558662D+01 -0.190123D+01  0.489946D+01  0.478520D+01
      2   0.622348D+00 -0.735574D+00 -0.216235D+01 -0.238491D+01 -0.146064D+01
      3   0.114051D+00  0.403293D+01 -0.546858D+01 -0.910441D+01 -0.293748D+01
                81            82            83            84            85 
      1   0.389762D+01  0.923738D-01 -0.232469D+01  0.200933D+01 -0.203933D+01
      2   0.191601D+01  0.148229D+01  0.114185D+01  0.498034D+01  0.954486D+00
      3  -0.292476D+01  0.886962D+00 -0.691390D+01 -0.112410D+00 -0.143767D+01
                86            87            88            89            90 
      1  -0.429596D+01  0.941997D+00 -0.565765D+00  0.635265D+01 -0.133134D+01
      2  -0.439534D+01  0.577845D+00  0.290018D+01  0.922983D+00 -0.107553D+02
      3  -0.643410D+01  0.664525D+01  0.317465D+00  0.892618D+01  0.101251D+01
                91            92            93            94            95 
      1  -0.973126D+00 -0.130650D+01  0.657297D-02 -0.126138D+01 -0.134341D+01
      2   0.224351D+00  0.521859D+00 -0.747115D-03  0.173927D+01  0.500316D-02
      3  -0.472167D+00 -0.169948D+01  0.206989D+00  0.207143D+00 -0.114288D+01
                96            97            98            99           100 
      1   0.113056D+01  0.182256D+00  0.336551D+01 -0.114362D+01  0.973061D+00
      2   0.717615D+00 -0.285802D+01  0.271762D+00 -0.229487D+01 -0.223941D+00
      3   0.167292D+01 -0.289109D+00  0.208192D+01 -0.629989D+00 -0.471965D+00
               101           102           103           104           105 
      1   0.130643D+01  0.644565D-02  0.126140D+01  0.134313D+01  0.113047D+01
      2  -0.521882D+00 -0.877619D-03 -0.173919D+01 -0.501363D-02  0.717547D+00
      3  -0.169935D+01 -0.206919D+00  0.207313D+00 -0.114260D+01 -0.167287D+01
               106           107           108           109           110 
      1   0.182260D+00  0.336544D+01  0.114314D+01  0.147659D+01  0.978495D+00
      2  -0.285807D+01  0.271576D+00  0.229527D+01 -0.632836D-01 -0.540628D+00
      3   0.289247D+00 -0.208202D+01 -0.629738D+00  0.271705D+01 -0.519370D+00
               111           112           113           114           115 
      1  -0.565510D+00  0.665898D+00  0.711258D+01 -0.366153D+01 -0.889689D+00
      2   0.154325D-01  0.677896D+00  0.266643D+01 -0.458990D+01 -0.843612D+00
      3  -0.134926D+01  0.910330D+00  0.139913D+02 -0.389250D+01 -0.159023D+01
               116           117           118           119           120 
      1  -0.263411D+01  0.161220D+01 -0.147636D+01 -0.978244D+00 -0.564958D+00
      2  -0.307959D+01  0.294963D+01  0.636090D-01  0.541206D+00  0.159501D-01
      3  -0.566689D+01  0.343598D+01  0.271668D+01 -0.519892D+00  0.134843D+01
               121           122           123           124           125 
      1  -0.665982D+00 -0.711166D+01 -0.366098D+01 -0.889189D+00 -0.263336D+01
      2  -0.677770D+00 -0.266617D+01 -0.458949D+01 -0.843279D+00 -0.307900D+01
      3   0.910555D+00  0.139909D+02  0.389241D+01  0.158985D+01  0.566649D+01
               126           127           128           129           130 
      1  -0.161131D+01  0.682558D+01  0.214818D+01 -0.441800D+01  0.308357D+01
      2  -0.294901D+01 -0.157052D+01  0.471021D+00 -0.991389D+00 -0.504688D+00
      3   0.343503D+01  0.119971D+02  0.324228D+01 -0.664190D+01  0.639930D+01
               131           132           133           134           135 
      1   0.210898D+01 -0.352664D+01 -0.451778D+01 -0.211938D+01  0.372818D+01
      2   0.762766D-01 -0.507196D+00 -0.538819D+00 -0.190696D+00  0.169615D+01
      3   0.252724D+01 -0.269924D+01 -0.957460D+01 -0.254628D+01  0.451318D+01
               136           137           138           139           140 
      1  -0.682540D+01 -0.214843D+01 -0.441804D+01 -0.308365D+01 -0.210982D+01
      2   0.157052D+01 -0.470804D+00 -0.990936D+00  0.504874D+00 -0.760336D-01
      3   0.119973D+02  0.324274D+01  0.664117D+01  0.640006D+01  0.252894D+01
               141           142           143           144 
      1  -0.352663D+01 -0.451687D+01 -0.211902D+01 -0.372730D+01
      2  -0.507225D+00 -0.538625D+00 -0.190769D+00 -0.169577D+01
      3   0.269890D+01  0.957258D+01  0.254598D+01  0.451231D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.528148D+01 -0.709623D+00 -0.991578D+00  0.576607D+01  0.161962D+02
      2   0.257293D+01  0.152396D+01  0.388256D+01 -0.558026D+01 -0.245607D+02
      3   0.270854D+01 -0.814338D+00 -0.289098D+01 -0.185805D+00  0.836453D+01
      4   0.924461D+01  0.154460D+01  0.227428D+01 -0.900006D+01 -0.127688D+02
      5  -0.681673D+01  0.230101D+01 -0.387843D+00 -0.230060D+01 -0.209225D+01
      6  -0.130627D+01 -0.288359D+01  0.771137D+01 -0.364805D+01 -0.818425D+01
                 6             7             8             9            10 
      1   0.395772D+01 -0.114136D+02  0.887406D+01  0.327492D+01 -0.318297D+00
      2  -0.249154D+01  0.816000D+01 -0.907652D+01 -0.237753D+01  0.479129D+01
      3  -0.146619D+01  0.325358D+01  0.202461D+00 -0.897382D+00 -0.447299D+01
      4  -0.480979D+01 -0.606051D+00 -0.785134D+01  0.187933D+01  0.583439D+01
      5   0.464243D+01  0.214945D+00  0.439636D+01 -0.683929D+01  0.103566D+01
      6  -0.127256D+02  0.108553D+01 -0.154215D+01 -0.394939D+01  0.378685D+01
                11            12            13            14            15 
      1   0.876417D+01  0.264164D+01  0.942238D+01 -0.286536D+02 -0.366774D+01
      2  -0.390444D+01 -0.179696D+01 -0.333205D+01  0.478735D+02  0.316867D+01
      3  -0.485973D+01 -0.844682D+00 -0.609032D+01 -0.192200D+02  0.499074D+00
      4   0.135405D+02  0.248559D+01  0.156165D+02  0.323284D+02  0.562042D+01
      5   0.252040D+01  0.489180D+01  0.667958D+01  0.832575D+00  0.575631D+01
      6   0.477730D+00 -0.215022D+01  0.155772D+01  0.162578D+02  0.175143D+02
                16            17            18            19            20 
      1   0.432178D+01 -0.101493D+02 -0.109984D+02  0.409837D+02 -0.563032D+01
      2  -0.283655D+01  0.748597D+01  0.284509D+01 -0.245703D+02  0.275328D+01
      3  -0.148524D+01  0.266337D+01  0.815333D+01 -0.164135D+02  0.287704D+01
      4   0.345315D+01  0.800592D+01  0.819121D+01 -0.849696D+01  0.937199D+01
      5   0.589615D+01  0.582789D+01  0.610014D+01  0.153177D+02 -0.308306D+01
      6  -0.491071D+00  0.154657D+02  0.117369D+02 -0.339052D+01  0.319539D+01
                21            22            23            24            25 
      1   0.771547D+01 -0.555308D+00  0.172257D+01  0.270938D+01  0.138585D+02
      2  -0.675375D+01  0.462659D+00 -0.136279D+01 -0.201290D+01 -0.118709D+02
      3  -0.961720D+00  0.926495D-01 -0.359776D+00 -0.696475D+00 -0.198755D+01
      4  -0.287051D+01  0.104625D+02  0.499941D+01  0.872663D+01 -0.500315D+01
      5   0.143890D+02  0.493469D+00  0.938775D+01 -0.521128D+00  0.176604D+02
      6  -0.456847D+01  0.281451D+01 -0.195134D+01  0.761696D+01 -0.327981D+01
                26            27            28            29            30 
      1  -0.776538D+00  0.469063D+01  0.795233D+00 -0.285935D+01 -0.439524D+01
      2   0.629554D+00 -0.148091D+02  0.162782D+01  0.394303D+01 -0.433651D+01
      3   0.146984D+00  0.101184D+02 -0.242306D+01 -0.108368D+01  0.873175D+01
      4   0.108123D+02 -0.363203D+01 -0.235098D+01 -0.149327D+01  0.182758D+01
      5  -0.520982D+01  0.193714D+02  0.880373D+00  0.117149D+01 -0.686218D+01
      6   0.716712D+01 -0.542332D+01  0.594086D+01  0.377451D+01 -0.151108D+01
                31            32            33            34            35 
      1   0.106989D+01  0.283275D+01 -0.315947D+01 -0.199168D+01 -0.343924D+01
      2   0.301506D+01 -0.509221D+01 -0.660247D+01 -0.350747D+01 -0.127627D+01
      3  -0.408496D+01  0.225946D+01  0.976194D+01  0.549915D+01  0.471550D+01
      4  -0.719790D+01  0.443308D+01  0.154299D+01  0.168205D+01  0.260277D+01
      5   0.228318D+01  0.475601D+01 -0.648984D+01 -0.514724D+01 -0.419396D+01
      6   0.198137D+01 -0.323659D+01 -0.796559D+01 -0.125443D+01 -0.206888D+00
                36            37            38            39            40 
      1  -0.681661D-01  0.796844D+00 -0.285898D+01  0.439433D+01  0.107054D+01
      2   0.949552D+01  0.162748D+01  0.394336D+01  0.433648D+01  0.301422D+01
      3  -0.942735D+01 -0.242432D+01 -0.108438D+01 -0.873081D+01 -0.408477D+01
      4  -0.265712D+01 -0.234916D+01 -0.149299D+01 -0.182742D+01 -0.719767D+01
      5   0.139836D+02 -0.881189D+00 -0.117140D+01 -0.686108D+01 -0.228290D+01
      6   0.894613D+01 -0.594025D+01 -0.377506D+01 -0.151050D+01 -0.198176D+01
                41            42            43            44            45 
      1   0.283318D+01  0.315860D+01  0.199046D+01  0.343786D+01 -0.670338D-01
      2  -0.509190D+01  0.660217D+01  0.350725D+01  0.127709D+01  0.949458D+01
      3   0.225872D+01 -0.976077D+01 -0.549772D+01 -0.471496D+01 -0.942755D+01
      4   0.443501D+01 -0.154402D+01 -0.168207D+01 -0.260372D+01 -0.265596D+01
      5  -0.475756D+01 -0.648873D+01 -0.514495D+01 -0.419272D+01 -0.139848D+02
      6   0.323745D+01 -0.796659D+01 -0.125388D+01 -0.206828D+00 -0.894609D+01
                46            47            48            49            50 
      1  -0.528254D+01 -0.708744D+00  0.991948D+00  0.576527D+01  0.161947D+02
      2   0.257350D+01  0.152227D+01 -0.388296D+01 -0.558035D+01 -0.245606D+02
      3   0.270904D+01 -0.813525D+00  0.289102D+01 -0.184922D+00  0.836598D+01
      4   0.924282D+01  0.154282D+01 -0.227299D+01 -0.900195D+01 -0.127710D+02
      5   0.681776D+01 -0.230046D+01 -0.388876D+00  0.230121D+01  0.209252D+01
      6   0.130702D+01  0.288454D+01  0.770947D+01  0.364755D+01  0.818443D+01
                51            52            53            54            55 
      1  -0.395665D+01  0.114131D+02 -0.887190D+01  0.327371D+01 -0.315871D+00
      2   0.249183D+01 -0.815889D+01  0.907493D+01 -0.237732D+01  0.479031D+01
      3   0.146482D+01 -0.325423D+01 -0.203026D+00 -0.896385D+00 -0.447444D+01
      4   0.480960D+01  0.606623D+00  0.785072D+01  0.187864D+01  0.583567D+01
      5   0.464135D+01  0.213595D+00  0.439574D+01  0.683969D+01 -0.103625D+01
      6  -0.127249D+02  0.108465D+01 -0.154231D+01  0.394856D+01 -0.378688D+01
                56            57            58            59            60 
      1   0.876369D+01 -0.264102D+01  0.942182D+01 -0.286521D+02  0.366686D+01
      2  -0.390339D+01  0.179688D+01 -0.333081D+01  0.478738D+02 -0.316838D+01
      3  -0.486030D+01  0.844136D+00 -0.609101D+01 -0.192217D+02 -0.498476D+00
      4   0.135426D+02 -0.248539D+01  0.156178D+02  0.323303D+02 -0.561984D+01
      5  -0.252021D+01  0.489224D+01 -0.668008D+01 -0.832261D+00  0.575721D+01
      6  -0.478694D+00 -0.214873D+01 -0.155740D+01 -0.162578D+02  0.175133D+02
                61            62            63            64            65 
      1  -0.432092D+01  0.101479D+02 -0.109971D+02  0.745261D+01  0.135592D+01
      2   0.283614D+01 -0.748426D+01  0.284537D+01 -0.403101D+01 -0.528181D+01
      3   0.148478D+01 -0.266361D+01  0.815168D+01 -0.342159D+01  0.392589D+01
      4  -0.345267D+01 -0.800470D+01  0.819124D+01 -0.110589D+02  0.107859D+02
      5   0.589644D+01  0.582799D+01 -0.609946D+01 -0.274669D+01  0.210320D+01
      6  -0.490020D+00  0.154653D+02 -0.117360D+02  0.837050D+01 -0.457505D+01
                66            67            68            69            70 
      1   0.188481D+01 -0.879653D+00 -0.120420D+02 -0.375965D+01  0.668861D+00
      2   0.121836D+01 -0.432654D+01  0.209484D+02  0.526089D+01  0.119846D+01
      3  -0.310317D+01  0.520619D+01 -0.890639D+01 -0.150125D+01 -0.186732D+01
      4   0.414498D+01  0.102253D+02 -0.143676D+02 -0.225207D+01  0.671577D+01
      5   0.895587D+01  0.164233D+01 -0.790759D+01 -0.201796D+01  0.737384D+01
      6  -0.511560D+01 -0.168174D+01  0.132171D+02  0.119631D+02 -0.537270D+01
                71            72            73            74            75 
      1  -0.602695D+01 -0.574363D+01  0.745432D+01  0.135810D+01 -0.188489D+01
      2   0.460466D+01 -0.332531D+01 -0.403322D+01 -0.528522D+01 -0.121802D+01
      3   0.142229D+01  0.906894D+01 -0.342110D+01  0.392712D+01  0.310291D+01
      4  -0.473816D+01 -0.571974D+01 -0.110591D+02  0.107860D+02 -0.414522D+01
      5  -0.399405D+01 -0.506464D+01  0.274752D+01 -0.210416D+01  0.895687D+01
      6   0.937568D+01  0.970058D+01 -0.836976D+01  0.457601D+01 -0.511568D+01
                76            77            78            79            80 
      1  -0.878402D+00 -0.120394D+02  0.375953D+01 -0.668703D+00  0.602707D+01
      2  -0.432788D+01  0.209442D+02 -0.526072D+01 -0.119858D+01 -0.460514D+01
      3   0.520629D+01 -0.890486D+01  0.150119D+01  0.186729D+01 -0.142194D+01
      4   0.102251D+02 -0.143688D+02  0.225246D+01 -0.671491D+01  0.473713D+01
      5  -0.164271D+01  0.790856D+01 -0.201816D+01  0.737445D+01 -0.399378D+01
      6   0.168239D+01 -0.132171D+02  0.119633D+02 -0.537155D+01  0.937514D+01
                81            82            83            84            85 
      1  -0.574257D+01  0.409807D+02 -0.563051D+01 -0.771580D+01 -0.555746D+00
      2  -0.332637D+01 -0.245691D+02  0.275366D+01  0.675410D+01  0.462948D+00
      3   0.906894D+01 -0.164116D+02  0.287686D+01  0.961700D+00  0.927985D-01
      4  -0.571889D+01 -0.849711D+01  0.937187D+01  0.287010D+01  0.104619D+02
      5   0.506392D+01 -0.153183D+02  0.308275D+01  0.143892D+02 -0.493443D+00
      6  -0.969950D+01  0.339025D+01 -0.319543D+01 -0.456819D+01 -0.281383D+01
                86            87            88            89            90 
      1   0.172219D+01 -0.270958D+01 -0.138576D+02  0.775974D+00  0.468994D+01
      2  -0.136321D+01  0.201289D+01  0.118704D+02 -0.629329D+00 -0.148093D+02
      3  -0.358983D+00  0.696695D+00  0.198724D+01 -0.146645D+00  0.101194D+02
      4   0.499979D+01 -0.872618D+01  0.500307D+01 -0.108122D+02 -0.363209D+01
      5  -0.938730D+01 -0.521176D+00  0.176603D+02 -0.520968D+01 -0.193722D+02
      6   0.195124D+01  0.761651D+01 -0.327980D+01  0.716746D+01  0.542383D+01
                91            92            93            94            95 
      1   0.283555D+01  0.139831D+01 -0.273724D+00  0.599115D+00 -0.222959D+01
      2  -0.692431D+01 -0.187988D+01  0.698366D+01 -0.169277D+01 -0.173855D+01
      3   0.408877D+01  0.481571D+00 -0.670994D+01  0.109366D+01  0.396815D+01
      4   0.275082D+01  0.325396D+01 -0.177138D+01  0.426368D+01  0.327028D+01
      5  -0.926280D+01 -0.238592D+01  0.127517D+02 -0.362464D+01 -0.530160D+01
      6  -0.326750D+01 -0.252868D+01  0.272742D+01 -0.303561D+01 -0.524857D+01
                96            97            98            99           100 
      1   0.371929D+01 -0.245648D+00  0.240813D+01 -0.100471D+02  0.283529D+01
      2   0.392083D+01  0.674693D+01  0.278764D+01 -0.167365D+02 -0.692399D+01
      3  -0.764013D+01 -0.650129D+01 -0.519577D+01  0.267835D+02  0.408870D+01
      4  -0.386858D+01 -0.197511D+01 -0.371981D+01  0.325975D+01  0.275084D+01
      5   0.717880D+01  0.115851D+02  0.426022D+01 -0.204952D+02  0.926250D+01
      6   0.899303D+01  0.251064D+01  0.630949D+01 -0.871144D+01  0.326784D+01
               101           102           103           104           105 
      1   0.139830D+01  0.273945D+00  0.599057D+00 -0.222963D+01 -0.371910D+01
      2  -0.187986D+01 -0.698320D+01 -0.169255D+01 -0.173840D+01 -0.392054D+01
      3   0.481562D+00  0.670925D+01  0.109349D+01  0.396802D+01  0.763964D+01
      4   0.325401D+01  0.177154D+01  0.426371D+01  0.327040D+01  0.386868D+01
      5   0.238599D+01  0.127511D+02  0.362448D+01  0.530165D+01  0.717868D+01
      6   0.252870D+01  0.272748D+01  0.303562D+01  0.524869D+01  0.899307D+01
               106           107           108           109           110 
      1   0.245977D+00 -0.240816D+01 -0.100469D+02  0.383826D+01 -0.392390D+01
      2  -0.674658D+01 -0.278765D+01 -0.167356D+02 -0.568277D+00  0.676085D+00
      3   0.650060D+01  0.519581D+01  0.267825D+02 -0.326998D+01  0.324781D+01
      4   0.197524D+01  0.372008D+01  0.325990D+01 -0.496026D+01  0.413226D+01
      5   0.115845D+02  0.426036D+01  0.204951D+02  0.182220D+01  0.713809D+00
      6   0.251077D+01  0.630960D+01  0.871220D+01 -0.102441D+00 -0.120613D+00
               111           112           113           114           115 
      1   0.103120D+01 -0.111005D+02  0.269107D+01  0.271410D+01  0.634550D+01
      2  -0.116515D+01  0.468717D+01  0.403799D+01 -0.366125D+01 -0.332950D+01
      3   0.133956D+00  0.641331D+01 -0.672906D+01  0.947145D+00 -0.301600D+01
      4  -0.309205D+00  0.787498D+01 -0.200140D+02  0.935375D+00 -0.850508D+00
      5   0.224748D+00  0.507989D+01  0.196176D+01 -0.709125D+01 -0.974654D+00
      6  -0.218373D+00 -0.246709D+01  0.475617D+01  0.183485D+01  0.430851D+00
               116           117           118           119           120 
      1  -0.115174D+01 -0.156347D+01  0.383856D+01 -0.392317D+01 -0.103074D+01
      2  -0.298894D+00  0.231958D+01 -0.568570D+00  0.675291D+00  0.116464D+01
      3   0.145063D+01 -0.756106D+00 -0.326999D+01  0.324788D+01 -0.133904D+00
      4   0.484553D+01 -0.295709D+01 -0.495991D+01  0.413271D+01  0.309871D+00
      5  -0.348355D+01  0.298460D+01 -0.182200D+01 -0.712803D+00  0.225583D+00
      6   0.572810D+00  0.432555D+00  0.102383D+00  0.120180D+00 -0.218758D+00
               121           122           123           124           125 
      1  -0.111011D+02  0.269173D+01 -0.271359D+01 -0.634560D+01  0.115260D+01
      2   0.468742D+01  0.403704D+01  0.366077D+01  0.332939D+01  0.298025D+00
      3   0.641366D+01 -0.672878D+01 -0.947184D+00  0.301621D+01 -0.145063D+01
      4   0.787516D+01 -0.200133D+02 -0.935732D+00  0.851231D+00 -0.484539D+01
      5  -0.507923D+01 -0.196194D+01 -0.709072D+01 -0.973634D+00 -0.348283D+01
      6   0.246659D+01 -0.475569D+01  0.183423D+01  0.430425D+00  0.572468D+00
               126           127           128           129           130 
      1  -0.156246D+01 -0.209033D+01 -0.226010D+01 -0.286788D+01 -0.238908D+01
      2   0.231856D+01  0.299418D+01  0.410260D+01 -0.679776D+00  0.290199D+01
      3  -0.756098D+00 -0.903853D+00 -0.184250D+01  0.354765D+01 -0.512911D+00
      4  -0.295672D+01  0.613953D+01 -0.276229D+01 -0.226256D+01  0.391716D+01
      5  -0.298386D+01  0.170893D+01  0.118081D+01 -0.308689D+01  0.171041D+01
      6  -0.432935D+00 -0.441774D+01  0.406109D+01  0.312515D+01 -0.110453D+01
               131           132           133           134           135 
      1  -0.610141D+01 -0.133599D+00  0.133259D+01  0.166417D+01 -0.130878D+00
      2   0.110618D+02 -0.205906D+01 -0.129839D+01 -0.365891D+01  0.200421D+01
      3  -0.496037D+01  0.219266D+01 -0.341983D-01  0.199474D+01 -0.187333D+01
      4  -0.779709D+00 -0.616341D+00 -0.490088D+01  0.368253D+01  0.163543D+01
      5   0.706639D+00 -0.145779D+01 -0.448034D+00 -0.502002D+00  0.229419D+01
      6   0.152069D+01  0.364763D+01  0.347297D+01  0.123360D+01 -0.243987D+01
               136           137           138           139           140 
      1  -0.209096D+01 -0.226170D+01  0.286720D+01 -0.239046D+01 -0.610348D+01
      2   0.299545D+01  0.410503D+01  0.679799D+00  0.290386D+01  0.110654D+02
      3  -0.904488D+00 -0.184333D+01 -0.354700D+01 -0.513400D+00 -0.496191D+01
      4   0.613776D+01 -0.276027D+01  0.226095D+01  0.391754D+01 -0.779524D+00
      5  -0.170894D+01 -0.118123D+01 -0.308613D+01 -0.171095D+01 -0.706967D+00
      6   0.441566D+01 -0.406103D+01  0.312471D+01  0.110400D+01 -0.152201D+01
               141           142           143           144 
      1   0.133753D+00 -0.133290D+01 -0.166402D+01 -0.131590D+00
      2   0.205909D+01  0.129854D+01  0.365895D+01  0.200409D+01
      3  -0.219284D+01  0.343580D-01 -0.199493D+01 -0.187250D+01
      4   0.616173D+00  0.489821D+01 -0.368167D+01  0.163413D+01
      5  -0.145802D+01 -0.447441D+00 -0.502079D+00 -0.229340D+01
      6   0.364747D+01  0.347150D+01  0.123417D+01  0.243807D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.935565D+00      0.237797D+01      0.793205D+01
   x         -0.219189D-04     -0.557122D-04     -0.185836D-03
   y         -0.101866D-03     -0.258916D-03     -0.863652D-03
   z          0.935565D+00      0.237797D+01      0.793205D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.657275D+02      0.973980D+01      0.108370D+02
   aniso      0.167597D+02      0.248353D+01      0.276330D+01
   xx         0.682333D+02      0.101111D+02      0.112502D+02
   yx        -0.589845D+01     -0.874060D+00     -0.972522D+00
   yy         0.718317D+02      0.106444D+02      0.118435D+02
   zx        -0.296794D-03     -0.439804D-04     -0.489348D-04
   zy         0.199159D-03      0.295122D-04      0.328368D-04
   zz         0.571173D+02      0.846392D+01      0.941738D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.702764D+02      0.104139D+02      0.115870D+02
   aniso      0.166989D+02      0.247452D+01      0.275328D+01
   xx         0.723237D+02      0.107173D+02      0.119246D+02
   yx        -0.579592D+01     -0.858867D+00     -0.955618D+00
   yy         0.767504D+02      0.113732D+02      0.126544D+02
   zx        -0.250165D-03     -0.370706D-04     -0.412466D-04
   zy         0.214781D-03      0.318272D-04      0.354126D-04
   zz         0.617551D+02      0.915116D+01      0.101820D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.76735853         -0.96502805         -0.57007385
     8         -2.31696074         -3.11815562         -1.19555530
     8         -4.48337387          0.44921833         -1.71637645
     6         -1.42254131          0.31564008          1.65808247
     6          1.42263979         -0.31523177          1.65805615
     6          2.76726756          0.96486607         -0.57045900
     8          2.31696707          3.11792165         -1.19628239
     8         -1.89866432          2.93902700          1.70264174
     8          1.89885183         -2.93862214          1.70328911
     8          4.48316494         -0.44963936         -1.71660582
     1         -2.23579019         -0.50729097          3.37023765
     1          2.23594810          0.50809288          3.36999020
     1          4.43580667         -2.10957318         -0.90336175
     1         -4.43594537          2.10930842         -0.90345073
     1         -0.57361606          3.73426375          0.68145216
     1          0.57369527         -3.73431743          0.68262209

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.935565D+00      0.237797D+01      0.793205D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.935565D+00      0.237797D+01      0.793205D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.657275D+02      0.973980D+01      0.108370D+02
   aniso      0.167597D+02      0.248353D+01      0.276330D+01
   xx         0.682333D+02      0.101111D+02      0.112502D+02
   yx        -0.589845D+01     -0.874060D+00     -0.972522D+00
   yy         0.718317D+02      0.106444D+02      0.118435D+02
   zx         0.850065D-04      0.125967D-04      0.140157D-04
   zy        -0.126477D-02     -0.187420D-03     -0.208533D-03
   zz         0.571173D+02      0.846392D+01      0.941738D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.702764D+02      0.104139D+02      0.115870D+02
   aniso      0.166989D+02      0.247452D+01      0.275328D+01
   xx         0.723237D+02      0.107173D+02      0.119246D+02
   yx        -0.579592D+01     -0.858867D+00     -0.955618D+00
   yy         0.767504D+02      0.113732D+02      0.126544D+02
   zx         0.133295D-03      0.197523D-04      0.219774D-04
   zy        -0.128214D-02     -0.189993D-03     -0.211396D-03
   zz         0.617551D+02      0.915116D+01      0.101820D+02

 ----------------------------------------------------------------------
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 8\\\@


 OF ALL THE WONDERS OF THE UNIVERSE, THE GREATEST IS MAN.

                                    -- ARISTOTLE
 Job cpu time:       0 days  3 hours  4 minutes 44.1 seconds.
 Elapsed time:       0 days  0 hours 11 minutes 34.5 seconds.
 File lengths (MBytes):  RWF=    235 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 18:21:58 2021.
